== noesy_strychnine (Spinach /Users/alexej/Documents/PROG/spynach-spinach) -> /Users/alexej/Documents/PROG/spynach/comparison/runs/noesy_strychnine/spinach Running startup checks... [..._comparison > noesy_strychnine_spinach > create ] scratch location: /Users/alexej/Documents/PROG/spynach-spinach/scratch [...on > noesy_strychnine_spinach > create > banner ] [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = SPINACH v2.13 = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = author list = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = documentation = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = book = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = MIT License = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] [... noesy_strychnine_spinach > create > tolerances ] Drop interaction tensors with 2-norms below (Hz) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop Liouvillian elements with norm below (rad/s) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop relaxation superoperator elements with norm below (Hz) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop propagator elements with norm below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop subspaces with populations below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop irreps with populations below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Steady state convergence tolerance 1.00000000e-08 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of time steps in ZTE sample 32 (safe default) [... noesy_strychnine_spinach > create > tolerances ] ZTE track drop threshold 1.00000000e-24 (safe default) [... noesy_strychnine_spinach > create > tolerances ] ZTE off for state vector densities above 0.5 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop dipolar couplings over more than (Angstrom) 4 (user-specified) [... noesy_strychnine_spinach > create > tolerances ] Krylov propagation for dimensions above 10000 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Basis set printing hush threshold 256 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Collect small subspaces into bundles of dimension 1000 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Force sparse algebra for matrix density below 0.15 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Force full algebra for matrix dimension below 200 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Rel. acc. for the elements of Redfield superoperator 1.00000000e-04 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Matrix exponential differentiation algorithm auxmat (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of PBC images for DD couplings in PBC systems 2 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of days before a cache record is deleted 365 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Planck constant (hbar) 1.05457182e-34 [... noesy_strychnine_spinach > create > tolerances ] Boltzmann constant (k) 1.38064900e-23 [... noesy_strychnine_spinach > create > tolerances ] Free electron g-factor 2.00231930e+00 [... noesy_strychnine_spinach > create > tolerances ] Vacuum permeability 1.25663706e-06 [... noesy_strychnine_spinach > create > tolerances ] Bohr magneton 9.27401007e-24 [..._comparison > noesy_strychnine_spinach > create ] WARNING: the following functionality is disabled by the user [..._comparison > noesy_strychnine_spinach > create ] > Krylov propagation inside evolution() function [..._comparison > noesy_strychnine_spinach > create ] WARNING: the following functionality is enabled by the user [..._comparison > noesy_strychnine_spinach > create ] > greedy parallelisation [..._comparison > noesy_strychnine_spinach > create ] job identifier: 5159e8b43860a0166d80da2b3da69637 [..._comparison > noesy_strychnine_spinach > create ] random number generator shuffled [..._comparison > noesy_strychnine_spinach > create ] starting a parallel pool with the following parameters: [..._comparison > noesy_strychnine_spinach > create ] > parallel profile: processes [..._comparison > noesy_strychnine_spinach > create ] > workers requested: 11 [..._comparison > noesy_strychnine_spinach > create ] > worker port range: 20001-44999 Starting parallel pool (parpool) using the 'Processes' profile ... Connected to parallel pool with 11 workers. [...on > noesy_strychnine_spinach > create > banner ] [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = SPIN SYSTEM = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] [..._comparison > noesy_strychnine_spinach > create ] a total of 22 particles in the simulation, of which 0 have a zero spin. [..._comparison > noesy_strychnine_spinach > create ] magnetic induction of 5.9 Tesla (-251.21 MHz proton frequency, 165.35 GHz electron frequency). [...sy_strychnine_spinach > create > summary_zeeman ] summary of Zeeman tensors and their anisotropies (ppm for nuclei, g-tensor for electrons) [...sy_strychnine_spinach > create > summary_zeeman ] ======================================================================================================= [...sy_strychnine_spinach > create > summary_zeeman ] # Spin 2S+1 Matrix Tr/3 norm[rank1] norm[rank2] [...sy_strychnine_spinach > create > summary_zeeman ] ------------------------------------------------------------------------------------------------------- [...sy_strychnine_spinach > create > summary_zeeman ] 1 1H 2 +7.167000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.167000e+00 +0.000000e+00 +7.1670e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.167000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 2 1H 2 +7.098000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.098000e+00 +0.000000e+00 +7.0980e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.098000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 3 1H 2 +7.255000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.255000e+00 +0.000000e+00 +7.2550e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.255000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 4 1H 2 +8.092000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +8.092000e+00 +0.000000e+00 +8.0920e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +8.092000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 5 1H 2 +3.860000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.860000e+00 +0.000000e+00 +3.8600e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.860000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 6 1H 2 +3.132000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.132000e+00 +0.000000e+00 +3.1320e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.132000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 7 1H 2 +2.670000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.670000e+00 +0.000000e+00 +2.6700e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.670000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 8 1H 2 +4.288000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.288000e+00 +0.000000e+00 +4.2880e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.288000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 9 1H 2 +1.276000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.276000e+00 +0.000000e+00 +1.2760e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.276000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 10 1H 2 +3.150000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.150000e+00 +0.000000e+00 +3.1500e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.150000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 11 1H 2 +2.360000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.360000e+00 +0.000000e+00 +2.3600e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.360000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 12 1H 2 +1.462000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.462000e+00 +0.000000e+00 +1.4620e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.462000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 13 1H 2 +3.963000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.963000e+00 +0.000000e+00 +3.9630e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.963000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 14 1H 2 +1.890000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.890000e+00 +0.000000e+00 +1.8900e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.890000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 15 1H 2 +1.890000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.890000e+00 +0.000000e+00 +1.8900e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.890000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 16 1H 2 +3.219000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.219000e+00 +0.000000e+00 +3.2190e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.219000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 17 1H 2 +2.878000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.878000e+00 +0.000000e+00 +2.8780e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.878000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 18 1H 2 +3.716000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.716000e+00 +0.000000e+00 +3.7160e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.716000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 19 1H 2 +2.745000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.745000e+00 +0.000000e+00 +2.7450e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.745000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 20 1H 2 +5.915000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +5.915000e+00 +0.000000e+00 +5.9150e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +5.915000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 21 1H 2 +4.148000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.148000e+00 +0.000000e+00 +4.1480e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.148000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 22 1H 2 +4.066000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.066000e+00 +0.000000e+00 +4.0660e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.066000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] ======================================================================================================= [..._comparison > noesy_strychnine_spinach > create ] WARNING - no giant spin terms supplied, zeros assumed. [..._comparison > noesy_strychnine_spinach > create ] initializing interaction arrays... [...rychnine_spinach > create > summary_coordinates ] atomic coordinates (Angstrom) [...rychnine_spinach > create > summary_coordinates ] ====================================== [...rychnine_spinach > create > summary_coordinates ] N Spin X Y Z [...rychnine_spinach > create > summary_coordinates ] -------------------------------------- [...rychnine_spinach > create > summary_coordinates ] 1 1H +2.734 -2.896 -0.426 [...rychnine_spinach > create > summary_coordinates ] 2 1H +5.075 -2.137 -0.780 [...rychnine_spinach > create > summary_coordinates ] 3 1H +5.663 +0.255 -0.501 [...rychnine_spinach > create > summary_coordinates ] 4 1H +3.914 +1.928 +0.114 [...rychnine_spinach > create > summary_coordinates ] 5 1H -0.600 +0.479 +1.319 [...rychnine_spinach > create > summary_coordinates ] 6 1H -0.326 +4.093 -0.078 [...rychnine_spinach > create > summary_coordinates ] 7 1H -0.686 +3.149 +1.362 [...rychnine_spinach > create > summary_coordinates ] 8 1H -1.749 +2.707 -1.336 [...rychnine_spinach > create > summary_coordinates ] 9 1H -0.086 +1.061 -1.587 [...rychnine_spinach > create > summary_coordinates ] 10 1H -2.223 +0.187 -2.284 [...rychnine_spinach > create > summary_coordinates ] 11 1H +0.010 -1.034 -2.430 [...rychnine_spinach > create > summary_coordinates ] 12 1H -1.358 -2.137 -2.430 [...rychnine_spinach > create > summary_coordinates ] 13 1H +0.389 -2.909 -0.854 [...rychnine_spinach > create > summary_coordinates ] 14 1H +1.032 -2.708 +1.774 [...rychnine_spinach > create > summary_coordinates ] 15 1H +0.606 -1.192 +2.580 [...rychnine_spinach > create > summary_coordinates ] 16 1H -1.287 -3.143 +2.354 [...rychnine_spinach > create > summary_coordinates ] 17 1H -1.751 -1.461 +2.050 [...rychnine_spinach > create > summary_coordinates ] 18 1H -2.974 -2.843 -1.045 [...rychnine_spinach > create > summary_coordinates ] 19 1H -3.433 -2.546 +0.623 [...rychnine_spinach > create > summary_coordinates ] 20 1H -4.460 -0.393 +0.811 [...rychnine_spinach > create > summary_coordinates ] 21 1H -3.853 +1.828 -1.077 [...rychnine_spinach > create > summary_coordinates ] 22 1H -4.533 +1.982 +0.550 [...rychnine_spinach > create > summary_coordinates ] ====================================== [..._comparison > noesy_strychnine_spinach > create ] periodic boundary conditions not specified, assuming a standalone spin system. [...n > noesy_strychnine_spinach > create > dipolar ] dipolar interaction distance threshold: 4 Angstrom. [...n > noesy_strychnine_spinach > create > dipolar ] running dipolar interaction network analysis... [...n > noesy_strychnine_spinach > create > dipolar ] found 62 spin pair(s) with distance under the threshold of 4 Angstrom. [..._comparison > noesy_strychnine_spinach > create ] processing coupling data... [...strychnine_spinach > create > summary_couplings ] summary of coupling tensors and their anisotropies (Hz) [...strychnine_spinach > create > summary_couplings ] ====================================================================================================== [...strychnine_spinach > create > summary_couplings ] Spin A Spin B Matrix Tr/3 norm[rank1] norm[rank2] [...strychnine_spinach > create > summary_couplings ] ------------------------------------------------------------------------------------------------------ [...strychnine_spinach > create > summary_couplings ] 2 1 -6.484066e+03 -3.368003e+03 +1.574368e+03 [...strychnine_spinach > create > summary_couplings ] -3.368003e+03 +2.815479e+03 +5.102860e+02 +0.0000e+00 +7.2375e-14 +7.8142e+03 [...strychnine_spinach > create > summary_couplings ] +1.574368e+03 +5.102860e+02 +3.668587e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 11 1 -5.154957e+02 +1.066053e+03 -1.147599e+03 [...strychnine_spinach > create > summary_couplings ] +1.066053e+03 +3.156147e+02 +7.843635e+02 +1.2063e-14 +0.0000e+00 +2.0885e+03 [...strychnine_spinach > create > summary_couplings ] -1.147599e+03 +7.843635e+02 +1.998809e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 13 1 -8.438339e+03 -6.971296e+01 -2.349931e+03 [...strychnine_spinach > create > summary_couplings ] -6.971296e+01 +4.433481e+03 -1.272670e+01 +0.0000e+00 +0.0000e+00 +8.8677e+03 [...strychnine_spinach > create > summary_couplings ] -2.349931e+03 -1.272670e+01 +4.004858e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 14 1 -3.275195e+02 +3.421269e+02 +4.007511e+03 [...strychnine_spinach > create > summary_couplings ] +3.421269e+02 +2.735000e+03 -4.422439e+02 +0.0000e+00 +3.6188e-14 +5.5455e+03 [...strychnine_spinach > create > summary_couplings ] +4.007511e+03 -4.422439e+02 -2.407480e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 2 -6.476576e+03 -3.368003e+03 +1.574368e+03 [...strychnine_spinach > create > summary_couplings ] -3.368003e+03 +2.822969e+03 +5.102860e+02 +7.4900e+00 +7.2375e-14 +7.8142e+03 [...strychnine_spinach > create > summary_couplings ] +1.574368e+03 +5.102860e+02 +3.676077e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 3 2 +3.276253e+03 -2.708169e+03 -3.156512e+02 [...strychnine_spinach > create > summary_couplings ] -2.708169e+03 -7.068976e+03 -1.283423e+03 +1.9300e-13 +2.8950e-13 +7.8846e+03 [...strychnine_spinach > create > summary_couplings ] -3.156512e+02 -1.283423e+03 +3.792723e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 3 +1.080000e+00 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 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summary_couplings ] +1.086973e+03 +1.058906e+04 -2.599721e+03 +0.0000e+00 +1.1693e-12 +2.1670e+04 [...strychnine_spinach > create > summary_couplings ] +1.148097e+04 -2.599721e+03 -1.662393e+04 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 22 -1.423976e+03 -7.548820e+02 +1.963526e+03 [...strychnine_spinach > create > summary_couplings ] -7.548820e+02 +1.278632e+03 +5.112615e+02 -1.2063e-14 +1.6184e-13 +2.9504e+03 [...strychnine_spinach > create > summary_couplings ] +1.963526e+03 +5.112615e+02 +1.453437e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 22 +4.392363e+03 +4.037248e+02 -4.449371e+01 [...strychnine_spinach > create > summary_couplings ] +4.037248e+02 -8.620733e+03 +1.435527e+03 +6.1000e+00 +0.0000e+00 +8.7976e+03 [...strychnine_spinach > create > summary_couplings ] -4.449371e+01 +1.435527e+03 +4.246670e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 21 22 +6.021069e+03 +1.086973e+03 +1.148097e+04 [...strychnine_spinach > create > summary_couplings ] +1.086973e+03 +1.057526e+04 -2.599721e+03 -1.3800e+01 +1.1693e-12 +2.1670e+04 [...strychnine_spinach > create > summary_couplings ] +1.148097e+04 -2.599721e+03 -1.663773e+04 [...strychnine_spinach > create > summary_couplings ] ====================================================================================================== [..._comparison > noesy_strychnine_spinach > create ] spin temperature: 298 Kelvin [..._comparison > noesy_strychnine_spinach > create ] relaxation theory 1: redfield [..._comparison > noesy_strychnine_spinach > create ] chemical subsystem 1, rotational correlation time(s): 2e-10 seconds [..._comparison > noesy_strychnine_spinach > create ] terms to keep in the relaxation superoperator: kite [..._comparison > noesy_strychnine_spinach > create ] action to take on dynamic frequency shifts: ignore [..._comparison > noesy_strychnine_spinach > create ] thermalisation method: IME create 22.1 s [...son > noesy_strychnine_spinach > basis > banner ] [...son > noesy_strychnine_spinach > basis > banner ] ============================================ [...son > noesy_strychnine_spinach > basis > banner ] = = [...son > noesy_strychnine_spinach > basis > banner ] = BASIS SET = [...son > noesy_strychnine_spinach > basis > banner ] = = [...son > noesy_strychnine_spinach > basis > banner ] ============================================ [...son > noesy_strychnine_spinach > basis > banner ] [...strychnine_spinach > basis > summary_basis_opts ] spherical tensor basis set using Liouville space matrix formalism. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations involving all nearest neighbours of each spin on the coupling graph. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations up to order 3 between all spins within 4 Angstrom of each other. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - coupling graph from scalar couplings, tensors with 2-norm below 1e-10 Hz dropped. [...n_comparison > noesy_strychnine_spinach > basis ] coupling tensors with norm below 1e-10 Hz will be ignored. [...n_comparison > noesy_strychnine_spinach > basis ] scalar couplings will be used to build the coupling graph. [...n_comparison > noesy_strychnine_spinach > basis ] connectivity matrix density 16.9421% [...n_comparison > noesy_strychnine_spinach > basis ] proximity matrix density 30.1653% [...n_comparison > noesy_strychnine_spinach > basis ] chemical substance 1, 22 spins: [...n_comparison > noesy_strychnine_spinach > basis ] 13 subgraphs generated from coupling data. [...n_comparison > noesy_strychnine_spinach > basis ] 226 subgraphs generated from proximity data. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 183 subgraphs with 3 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 6 subgraphs with 4 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 1 subgraphs with 5 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 1 subgraphs with 6 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] building basis set descriptor... [...n_comparison > noesy_strychnine_spinach > basis ] eliminating redundant states... [...n_comparison > noesy_strychnine_spinach > basis ] sorting the basis... [...n_comparison > noesy_strychnine_spinach > basis ] chemical substance 1: 12315 states. [...oesy_strychnine_spinach > basis > summary_basis ] over 256 states in the basis - printing suppressed. [...oesy_strychnine_spinach > basis > summary_basis ] state space dimension 12316 (7.0008e-08% of the full state space). [...n > noesy_strychnine_spinach > basis > symmetry ] no symmetry information available. [...n_comparison > noesy_strychnine_spinach > basis ] caching Lie structure tables... basis 2.0 s [...on > noesy_strychnine_spinach > liquid > banner ] [...on > noesy_strychnine_spinach > liquid > banner ] ============================================ [...on > noesy_strychnine_spinach > liquid > banner ] = = [...on > noesy_strychnine_spinach > liquid > banner ] = PULSE SEQUENCE = [...on > noesy_strychnine_spinach > liquid > banner ] = = [...on > noesy_strychnine_spinach > liquid > banner ] ============================================ [...on > noesy_strychnine_spinach > liquid > banner ] [... > noesy_strychnine_spinach > liquid > defaults ] parameters.decouple field not set, assuming no decoupling. [... > noesy_strychnine_spinach > liquid > defaults ] parameters.rframes field not set, assuming no additional rotating frame transformations. [...on > noesy_strychnine_spinach > liquid > assume ] generic high-field NMR assumption set: [...on > noesy_strychnine_spinach > liquid > assume ] rotating frame approximation for electrons, [...on > noesy_strychnine_spinach > liquid > assume ] rotating frame approximation for nuclei, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for electron Zeeman interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for nuclear Zeeman interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for giant spin model interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular coupling terms for spins belonging to the same species, [...on > noesy_strychnine_spinach > liquid > assume ] weak coupling terms for spins belonging to different species, [...on > noesy_strychnine_spinach > liquid > assume ] secular coupling terms for quadratic couplings. [...noesy_strychnine_spinach > liquid > hamiltonian ] building Hamiltonian descriptor... [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 1... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1800.4015 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 2... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1783.0682 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1822.5077 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -2032.768 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 5... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -969.6595 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 6... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -786.7807 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 7... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -670.723 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1077.1761 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -320.5403 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 10... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -791.3024 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 11... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -592.8488 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -367.2648 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -995.5338 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 14... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -474.7815 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 15... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -474.7815 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -808.6357 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -722.9741 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 18... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -933.4857 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 19... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -689.5636 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1485.8901 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 21... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1042.0071 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1021.4082 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,2... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 6,7... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 6,8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 7,8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 5,9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 8,9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 9,10... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,11... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 11,12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 11,13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 12,13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,15... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 15,16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 15,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 16,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,18... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 18,19... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 18,20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 20,21... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 20,22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 21,22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...noesy_strychnine_spinach > liquid > hamiltonian ] building individual operators... [...ne_spinach > liquid > hamiltonian > parfor/spmd ] 112/112 operators done, 73.3375 operators per second. [...noesy_strychnine_spinach > liquid > hamiltonian ] average worker process received 0.91731 MB and sent back 0.72738 MB [...noesy_strychnine_spinach > liquid > hamiltonian ] operator construction took 1.5405 seconds [...noesy_strychnine_spinach > liquid > hamiltonian ] operator array footprint: 0.0077637 GB [...noesy_strychnine_spinach > liquid > hamiltonian ] assembling the Hamiltonian... [...noesy_strychnine_spinach > liquid > hamiltonian ] Hamiltonian assembly took 0.026198 seconds [...noesy_strychnine_spinach > liquid > hamiltonian ] WARNING - only the isotropic part has been returned. [...noesy_strychnine_spinach > liquid > hamiltonian ] memory footprint of I array: 0.0012009 GB [... noesy_strychnine_spinach > liquid > relaxation ] Redfield theory (rotational diffusion). [... noesy_strychnine_spinach > liquid > relaxation ] computing the lab frame Hamiltonian superoperator... [...rychnine_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [...rychnine_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for all couplings. [...ine_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208923.6567 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208906.3234 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208945.7629 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251209156.0233 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208092.9147 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207910.0359 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207793.9782 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208200.4314 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207443.7955 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207914.5577 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207716.104 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207490.52 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208118.789 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207931.8909 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207846.2293 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208056.7409 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207812.8188 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208609.1453 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208165.2624 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208144.6634 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.64977e+03+3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.49308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.64977e+03-3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.15555e+02-1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.44803e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.15555e+02+1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.43591e+03+6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.90493e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.43591e+03-6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.53126e+03-3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.94855e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.53126e+03+3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.64977e+03+3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.49308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.64977e+03-3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,2... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.17261e+03+2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.64512e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.17261e+03-2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.17261e+03+2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.64512e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.17261e+03-2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,3... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39041e+02-5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.86354e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39041e+02+5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39041e+02-5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.86354e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39041e+02+5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32357e+03+2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.68508e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32357e+03-2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.71131e+03-3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.85273e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.71131e+03+3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.06201e+02-7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.85728e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.06201e+02+7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.72532e+01+2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.86619e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.72532e+01-2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.35344e+02+8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.75126e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.35344e+02-8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10164e+03-1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48915e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10164e+03+1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.46243e+03-4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.51217e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.46243e+03+4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38359e+03+5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.02231e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38359e+03-5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.93214e+03+5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.94240e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.93214e+03-5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.26096e+03+6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.10282e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.26096e+03-6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32357e+03+2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.68508e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32357e+03-2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.07321e+03+3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.36725e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.07321e+03-3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.30013e+02+4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.98870e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.30013e+02-4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.82467e+03-2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.65685e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.82467e+03+2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.71131e+03-3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.85273e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.71131e+03+3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.07321e+03+3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.36725e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.07321e+03-3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.87491e+02+3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.48418e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.87491e+02-3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.46680e+02-3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.41380e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.46680e+02+3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.06201e+02-7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.85728e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.06201e+02+7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.30013e+02+4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.98870e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.30013e+02-4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.87491e+02+3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.48418e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.87491e+02-3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.06738e+01-6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.45389e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.06738e+01+6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.61457e+03+1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.30308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.61457e+03-1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.17037e+03+5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.85103e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.17037e+03-5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.35130e+03+7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.78009e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.35130e+03-7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.72532e+01+2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.86619e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.72532e+01-2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.82467e+03-2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.65685e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.82467e+03+2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.46680e+02-3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.41380e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.46680e+02+3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.06738e+01-6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.45389e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.06738e+01+6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.19859e+03+4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.93148e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.19859e+03-4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.68667e+03-6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.71401e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.68667e+03+6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38844e+03+1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37265e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38844e+03-1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.39718e+03-5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.19571e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.39718e+03+5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.35344e+02+8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.75126e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.35344e+02-8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.61457e+03+1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.30308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.61457e+03-1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.19859e+03+4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.93148e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.19859e+03-4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.92287e+03-4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39423e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.92287e+03+4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.42904e+03-3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.74719e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.42904e+03+3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.81754e+03+9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14948e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.81754e+03-9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.89089e+02+2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.18312e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.89089e+02-2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.70759e+01-3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48371e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.70759e+01+3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.15555e+02-1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.44803e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.15555e+02+1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.68667e+03-6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.71401e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.68667e+03+6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.92287e+03-4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39423e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.92287e+03+4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.52333e+03+1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.35600e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.52333e+03-1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.24979e+03-1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.03198e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.24979e+03+1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.80744e+02+1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +8.22892e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.80744e+02-1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38844e+03+1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37265e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38844e+03-1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.42904e+03-3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.74719e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.42904e+03+3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.52333e+03+1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.35600e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.52333e+03-1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.37804e+03-2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.04519e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.37804e+03+2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.35979e+03+3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.44034e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.35979e+03-3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.27996e+02+2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.47525e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.27996e+02-2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.43591e+03+6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.90493e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.43591e+03-6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.24979e+03-1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.03198e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.24979e+03+1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.37804e+03-2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.04519e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.37804e+03+2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.28989e+02+1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.68662e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.28989e+02-1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.10871e+02+7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.80181e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.10871e+02-7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.95231e+02+1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.07633e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.95231e+02-1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.52116e+02-6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.45130e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.52116e+02+6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.34772e+03-9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.90599e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.34772e+03+9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.53126e+03-3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.94855e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.53126e+03+3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10164e+03-1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48915e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10164e+03+1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.28989e+02+1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.68662e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.28989e+02-1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10113e+04-6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.01852e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10113e+04+6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.51895e+03+2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.25006e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.51895e+03-2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.07120e+03-2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.49987e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.07120e+03+2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.46243e+03-4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.51217e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.46243e+03+4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.10871e+02+7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.80181e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.10871e+02-7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10113e+04-6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.01852e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10113e+04+6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32488e+02+4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.54881e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32488e+02-4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.82175e+03+1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39193e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.82175e+03-1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38359e+03+5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.02231e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38359e+03-5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.95231e+02+1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.07633e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.95231e+02-1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.51895e+03+2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.25006e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.51895e+03-2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32488e+02+4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.54881e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32488e+02-4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.35117e+04-8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.20639e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.35117e+04+8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.10488e+02-1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.85728e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.10488e+02+1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.14075e+03-1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.26533e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.14075e+03+1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.93214e+03+5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.94240e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.93214e+03-5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.52116e+02-6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.45130e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.52116e+02+6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.07120e+03-2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.49987e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.07120e+03+2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.82175e+03+1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39193e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.82175e+03-1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.35117e+04-8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.20639e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.35117e+04+8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.15122e+01+5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.90761e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.15122e+01-5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.65872e+03+3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.58123e+01 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.65872e+03-3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.75990e+03-1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25474e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.75990e+03+1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.81754e+03+9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14948e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.81754e+03-9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.80744e+02+1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +8.22892e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.80744e+02-1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.35979e+03+3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.44034e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.35979e+03-3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.34772e+03-9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.90599e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.34772e+03+9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.10488e+02-1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.85728e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.10488e+02+1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.15122e+01+5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.90761e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.15122e+01-5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.62684e+02-1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.32487e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.62684e+02+1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +7.36999e+02-1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.09224e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +7.36999e+02+1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.27996e+02+2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.47525e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.27996e+02-2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.14075e+03-1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.26533e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.14075e+03+1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.65872e+03+3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.58123e+01 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.65872e+03-3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.62684e+02-1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.32487e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.62684e+02+1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.11418e+03-5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.27014e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.11418e+03+5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.26096e+03+6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.10282e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.26096e+03-6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.89089e+02+2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.18312e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.89089e+02-2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.75990e+03-1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25474e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.75990e+03+1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +7.36999e+02-1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.09224e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +7.36999e+02+1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.11418e+03-5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.27014e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.11418e+03+5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.75713e+03+1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.76126e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.75713e+03-1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.50655e+03-4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.19362e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.50655e+03+4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.17037e+03+5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.85103e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.17037e+03-5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.39718e+03-5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.19571e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.39718e+03+5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.70759e+01-3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48371e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.70759e+01+3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.75713e+03+1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.76126e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.75713e+03-1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.27710e+03-1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.03601e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.27710e+03+1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.35130e+03+7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.78009e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.35130e+03-7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.50655e+03-4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.19362e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.50655e+03+4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.27710e+03-1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.03601e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.27710e+03+1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] 1147 unique operators in the Hamiltonian descriptor. [...ine_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 1147/1147 operators done, 248.9484 operators per second. [...ine_spinach > liquid > relaxation > hamiltonian ] average worker process received 0.96769 MB and sent back 6.6082 MB [...ine_spinach > liquid > relaxation > hamiltonian ] operator construction took 4.6122 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.070749 GB [...ine_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...ine_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.70532 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] maximum spherical rank in the giant spin Hamiltonian: 0 [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0012009 GB [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of Q array: 0.035203 GB [... noesy_strychnine_spinach > liquid > relaxation ] parallel evaluation path... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+2, p=+2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+1, p=+2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+0, p=+2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-1, p=+2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-2, p=+2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+2, p=+1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-2, p=+1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+2, p=+0, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+1, p=+0, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+0, p=+0, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-1, p=+0, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-2, p=+0, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+2, p=-1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-2, p=-1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+2, p=-2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+1, p=-2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+0, p=-2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-1, p=-2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-2, p=-2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] getting data from workers... [... noesy_strychnine_spinach > liquid > relaxation ] Redfield superoperator build time: 8.1277 seconds [... noesy_strychnine_spinach > liquid > relaxation ] full relaxation superoperator density 0.58599%, nnz 888859, sparsity 1 [... noesy_strychnine_spinach > liquid > relaxation ] dynamic frequency shifts have been ignored. [... noesy_strychnine_spinach > liquid > relaxation ] transverse cross-relaxation terms have been ignored. [... noesy_strychnine_spinach > liquid > relaxation ] thermalisation method: inhomogeneous master equation [... noesy_strychnine_spinach > liquid > relaxation ] getting lab frame Hamiltonian... [...rychnine_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [...rychnine_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for all couplings. [...ine_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208923.6567 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208906.3234 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208945.7629 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251209156.0233 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208092.9147 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207910.0359 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207793.9782 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208200.4314 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207443.7955 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207914.5577 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207716.104 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207490.52 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208118.789 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207931.8909 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207846.2293 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208056.7409 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207812.8188 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208609.1453 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208165.2624 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208144.6634 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...ine_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 112/112 operators done, 108.5735 operators per second. [...ine_spinach > liquid > relaxation > hamiltonian ] average worker process received 0.91731 MB and sent back 0.46281 MB [...ine_spinach > liquid > relaxation > hamiltonian ] operator construction took 1.0357 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.0049216 GB [...ine_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...ine_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.0090719 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0025916 GB [... noesy_strychnine_spinach > liquid > relaxation ] getting the equilibrium state using isotropic Hamiltonian... [... noesy_strychnine_spinach > liquid > relaxation ] final relaxation superoperator density 0.012566%, nnz(R)=19061, sparsity 1 [... noesy_strychnine_spinach > liquid > relaxation ] memory footprint of the relaxation superoperator: 0.00051782 GB [... > noesy_strychnine_spinach > liquid > kinetics ] no significant kinetics specified. [... > noesy_strychnine_spinach > liquid > kinetics ] kinetics superoperator set to zero. [..._comparison > noesy_strychnine_spinach > liquid ] building the thermal equilibrium state... [...ychnine_spinach > liquid > equilibrium > assume ] lab frame assumption set - no assumptions: [...ychnine_spinach > liquid > equilibrium > assume ] laboratory frame simulation for electrons, [...ychnine_spinach > liquid > equilibrium > assume ] laboratory frame simulation for nuclei, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for electron Zeeman interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for nuclear Zeeman interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for giant spin model interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for all couplings. [...ne_spinach > liquid > equilibrium > hamiltonian ] building Hamiltonian descriptor... [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208923.6567 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208906.3234 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208945.7629 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251209156.0233 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208092.9147 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207910.0359 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207793.9782 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208200.4314 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207443.7955 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207914.5577 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207716.104 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207490.52 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208118.789 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207598.0367 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207598.0367 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207931.8909 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207846.2293 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208056.7409 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207812.8188 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208609.1453 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208165.2624 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208144.6634 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,2... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 2,3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 2,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 3,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 6,7... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 6,8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 7,8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 5,9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 8,9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 9,10... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,11... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 11,12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 11,13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 12,13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,15... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 15,16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 15,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 16,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,18... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 18,19... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 18,20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 20,21... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 20,22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 21,22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...ne_spinach > liquid > equilibrium > hamiltonian ] building individual operators... [...iquid > equilibrium > hamiltonian > parfor/spmd ] 112/112 operators done, 256.8952 operators per second. [...ne_spinach > liquid > equilibrium > hamiltonian ] average worker process received 0.91731 MB and sent back 0.46281 MB [...ne_spinach > liquid > equilibrium > hamiltonian ] operator construction took 0.44006 seconds [...ne_spinach > liquid > equilibrium > hamiltonian ] operator array footprint: 0.0049216 GB [...ne_spinach > liquid > equilibrium > hamiltonian ] assembling the Hamiltonian... [...ne_spinach > liquid > equilibrium > hamiltonian ] Hamiltonian assembly took 0.0050409 seconds [...ne_spinach > liquid > equilibrium > hamiltonian ] WARNING - only the isotropic part has been returned. [...ne_spinach > liquid > equilibrium > hamiltonian ] memory footprint of I array: 0.0025916 GB [...> noesy_strychnine_spinach > liquid > frqoffset ] applying 1200 Hz Larmor frequency offset to 1H... [..._comparison > noesy_strychnine_spinach > liquid ] running the pulse sequence... [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [ ] propagating the system on CPU... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. liquid/noesy 83.0 s [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, sqcos window function applied. processing 0.2 s [...comparison > noesy_strychnine_spinach > plot_2d ] plotting... plot 3.6 s total 110.9 s == noesy_strychnine (Spinach /Users/alexej/Documents/PROG/spynach-spinach) -> /Users/alexej/Documents/PROG/spynach/comparison/runs/noesy_strychnine/spinach Running startup checks... [..._comparison > noesy_strychnine_spinach > create ] scratch location: /Users/alexej/Documents/PROG/spynach-spinach/scratch [...on > noesy_strychnine_spinach > create > banner ] [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = SPINACH v2.13 = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = author list = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = documentation = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = book = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = MIT License = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] [... noesy_strychnine_spinach > create > tolerances ] Drop interaction tensors with 2-norms below (Hz) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop Liouvillian elements with norm below (rad/s) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop relaxation superoperator elements with norm below (Hz) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop propagator elements with norm below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop subspaces with populations below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop irreps with populations below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Steady state convergence tolerance 1.00000000e-08 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of time steps in ZTE sample 32 (safe default) [... noesy_strychnine_spinach > create > tolerances ] ZTE track drop threshold 1.00000000e-24 (safe default) [... noesy_strychnine_spinach > create > tolerances ] ZTE off for state vector densities above 0.5 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop dipolar couplings over more than (Angstrom) 4 (user-specified) [... noesy_strychnine_spinach > create > tolerances ] Krylov propagation for dimensions above 10000 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Basis set printing hush threshold 256 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Collect small subspaces into bundles of dimension 1000 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Force sparse algebra for matrix density below 0.15 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Force full algebra for matrix dimension below 200 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Rel. acc. for the elements of Redfield superoperator 1.00000000e-04 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Matrix exponential differentiation algorithm auxmat (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of PBC images for DD couplings in PBC systems 2 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of days before a cache record is deleted 365 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Planck constant (hbar) 1.05457182e-34 [... noesy_strychnine_spinach > create > tolerances ] Boltzmann constant (k) 1.38064900e-23 [... noesy_strychnine_spinach > create > tolerances ] Free electron g-factor 2.00231930e+00 [... noesy_strychnine_spinach > create > tolerances ] Vacuum permeability 1.25663706e-06 [... noesy_strychnine_spinach > create > tolerances ] Bohr magneton 9.27401007e-24 [..._comparison > noesy_strychnine_spinach > create ] WARNING: the following functionality is disabled by the user [..._comparison > noesy_strychnine_spinach > create ] > Krylov propagation inside evolution() function [..._comparison > noesy_strychnine_spinach > create ] WARNING: the following functionality is enabled by the user [..._comparison > noesy_strychnine_spinach > create ] > greedy parallelisation [..._comparison > noesy_strychnine_spinach > create ] job identifier: 76d89cbcff75b94c1c58419eeaee3e32 [..._comparison > noesy_strychnine_spinach > create ] random number generator shuffled [..._comparison > noesy_strychnine_spinach > create ] starting a parallel pool with the following parameters: [..._comparison > noesy_strychnine_spinach > create ] > parallel profile: processes [..._comparison > noesy_strychnine_spinach > create ] > workers requested: 11 [..._comparison > noesy_strychnine_spinach > create ] > worker port range: 20001-44999 Starting parallel pool (parpool) using the 'Processes' profile ... Connected to parallel pool with 11 workers. [...on > noesy_strychnine_spinach > create > banner ] [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = SPIN SYSTEM = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] [..._comparison > noesy_strychnine_spinach > create ] a total of 22 particles in the simulation, of which 0 have a zero spin. [..._comparison > noesy_strychnine_spinach > create ] magnetic induction of 5.9 Tesla (-251.21 MHz proton frequency, 165.35 GHz electron frequency). [...sy_strychnine_spinach > create > summary_zeeman ] summary of Zeeman tensors and their anisotropies (ppm for nuclei, g-tensor for electrons) [...sy_strychnine_spinach > create > summary_zeeman ] ======================================================================================================= [...sy_strychnine_spinach > create > summary_zeeman ] # Spin 2S+1 Matrix Tr/3 norm[rank1] norm[rank2] [...sy_strychnine_spinach > create > summary_zeeman ] ------------------------------------------------------------------------------------------------------- [...sy_strychnine_spinach > create > summary_zeeman ] 1 1H 2 +7.167000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.167000e+00 +0.000000e+00 +7.1670e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.167000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 2 1H 2 +7.098000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.098000e+00 +0.000000e+00 +7.0980e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.098000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 3 1H 2 +7.255000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.255000e+00 +0.000000e+00 +7.2550e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.255000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 4 1H 2 +8.092000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +8.092000e+00 +0.000000e+00 +8.0920e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +8.092000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 5 1H 2 +3.860000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.860000e+00 +0.000000e+00 +3.8600e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.860000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 6 1H 2 +3.132000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.132000e+00 +0.000000e+00 +3.1320e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.132000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 7 1H 2 +2.670000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.670000e+00 +0.000000e+00 +2.6700e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.670000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 8 1H 2 +4.288000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.288000e+00 +0.000000e+00 +4.2880e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.288000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 9 1H 2 +1.276000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.276000e+00 +0.000000e+00 +1.2760e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.276000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 10 1H 2 +3.150000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.150000e+00 +0.000000e+00 +3.1500e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.150000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 11 1H 2 +2.360000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.360000e+00 +0.000000e+00 +2.3600e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.360000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 12 1H 2 +1.462000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.462000e+00 +0.000000e+00 +1.4620e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.462000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 13 1H 2 +3.963000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.963000e+00 +0.000000e+00 +3.9630e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.963000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 14 1H 2 +1.890000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.890000e+00 +0.000000e+00 +1.8900e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.890000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 15 1H 2 +1.890000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.890000e+00 +0.000000e+00 +1.8900e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.890000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 16 1H 2 +3.219000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.219000e+00 +0.000000e+00 +3.2190e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.219000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 17 1H 2 +2.878000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.878000e+00 +0.000000e+00 +2.8780e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.878000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 18 1H 2 +3.716000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.716000e+00 +0.000000e+00 +3.7160e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.716000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 19 1H 2 +2.745000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.745000e+00 +0.000000e+00 +2.7450e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.745000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 20 1H 2 +5.915000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +5.915000e+00 +0.000000e+00 +5.9150e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +5.915000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 21 1H 2 +4.148000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.148000e+00 +0.000000e+00 +4.1480e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.148000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 22 1H 2 +4.066000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.066000e+00 +0.000000e+00 +4.0660e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.066000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] ======================================================================================================= [..._comparison > noesy_strychnine_spinach > create ] WARNING - no giant spin terms supplied, zeros assumed. [..._comparison > noesy_strychnine_spinach > create ] initializing interaction arrays... [...rychnine_spinach > create > summary_coordinates ] atomic coordinates (Angstrom) [...rychnine_spinach > create > summary_coordinates ] ====================================== [...rychnine_spinach > create > summary_coordinates ] N Spin X Y Z [...rychnine_spinach > create > summary_coordinates ] -------------------------------------- [...rychnine_spinach > create > summary_coordinates ] 1 1H +2.734 -2.896 -0.426 [...rychnine_spinach > create > summary_coordinates ] 2 1H +5.075 -2.137 -0.780 [...rychnine_spinach > create > summary_coordinates ] 3 1H +5.663 +0.255 -0.501 [...rychnine_spinach > create > summary_coordinates ] 4 1H +3.914 +1.928 +0.114 [...rychnine_spinach > create > summary_coordinates ] 5 1H -0.600 +0.479 +1.319 [...rychnine_spinach > create > summary_coordinates ] 6 1H -0.326 +4.093 -0.078 [...rychnine_spinach > create > summary_coordinates ] 7 1H -0.686 +3.149 +1.362 [...rychnine_spinach > create > summary_coordinates ] 8 1H -1.749 +2.707 -1.336 [...rychnine_spinach > create > summary_coordinates ] 9 1H -0.086 +1.061 -1.587 [...rychnine_spinach > create > summary_coordinates ] 10 1H -2.223 +0.187 -2.284 [...rychnine_spinach > create > summary_coordinates ] 11 1H +0.010 -1.034 -2.430 [...rychnine_spinach > create > summary_coordinates ] 12 1H -1.358 -2.137 -2.430 [...rychnine_spinach > create > summary_coordinates ] 13 1H +0.389 -2.909 -0.854 [...rychnine_spinach > create > summary_coordinates ] 14 1H +1.032 -2.708 +1.774 [...rychnine_spinach > create > summary_coordinates ] 15 1H +0.606 -1.192 +2.580 [...rychnine_spinach > create > summary_coordinates ] 16 1H -1.287 -3.143 +2.354 [...rychnine_spinach > create > summary_coordinates ] 17 1H -1.751 -1.461 +2.050 [...rychnine_spinach > create > summary_coordinates ] 18 1H -2.974 -2.843 -1.045 [...rychnine_spinach > create > summary_coordinates ] 19 1H -3.433 -2.546 +0.623 [...rychnine_spinach > create > summary_coordinates ] 20 1H -4.460 -0.393 +0.811 [...rychnine_spinach > create > summary_coordinates ] 21 1H -3.853 +1.828 -1.077 [...rychnine_spinach > create > summary_coordinates ] 22 1H -4.533 +1.982 +0.550 [...rychnine_spinach > create > summary_coordinates ] ====================================== [..._comparison > noesy_strychnine_spinach > create ] periodic boundary conditions not specified, assuming a standalone spin system. [...n > noesy_strychnine_spinach > create > dipolar ] dipolar interaction distance threshold: 4 Angstrom. [...n > noesy_strychnine_spinach > create > dipolar ] running dipolar interaction network analysis... [...n > noesy_strychnine_spinach > create > dipolar ] found 62 spin pair(s) with distance under the threshold of 4 Angstrom. [..._comparison > noesy_strychnine_spinach > create ] processing coupling data... [...strychnine_spinach > create > summary_couplings ] summary of coupling tensors and their anisotropies (Hz) [...strychnine_spinach > create > summary_couplings ] ====================================================================================================== [...strychnine_spinach > create > summary_couplings ] Spin A Spin B Matrix Tr/3 norm[rank1] norm[rank2] [...strychnine_spinach > create > summary_couplings ] ------------------------------------------------------------------------------------------------------ [...strychnine_spinach > create > summary_couplings ] 2 1 -6.484066e+03 -3.368003e+03 +1.574368e+03 [...strychnine_spinach > create > summary_couplings ] -3.368003e+03 +2.815479e+03 +5.102860e+02 +0.0000e+00 +7.2375e-14 +7.8142e+03 [...strychnine_spinach > create > summary_couplings ] +1.574368e+03 +5.102860e+02 +3.668587e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 11 1 -5.154957e+02 +1.066053e+03 -1.147599e+03 [...strychnine_spinach > create > summary_couplings ] +1.066053e+03 +3.156147e+02 +7.843635e+02 +1.2063e-14 +0.0000e+00 +2.0885e+03 [...strychnine_spinach > create > summary_couplings ] -1.147599e+03 +7.843635e+02 +1.998809e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 13 1 -8.438339e+03 -6.971296e+01 -2.349931e+03 [...strychnine_spinach > create > summary_couplings ] -6.971296e+01 +4.433481e+03 -1.272670e+01 +0.0000e+00 +0.0000e+00 +8.8677e+03 [...strychnine_spinach > create > summary_couplings ] -2.349931e+03 -1.272670e+01 +4.004858e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 14 1 -3.275195e+02 +3.421269e+02 +4.007511e+03 [...strychnine_spinach > create > summary_couplings ] +3.421269e+02 +2.735000e+03 -4.422439e+02 +0.0000e+00 +3.6188e-14 +5.5455e+03 [...strychnine_spinach > create > summary_couplings ] +4.007511e+03 -4.422439e+02 -2.407480e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 2 -6.476576e+03 -3.368003e+03 +1.574368e+03 [...strychnine_spinach > create > summary_couplings ] -3.368003e+03 +2.822969e+03 +5.102860e+02 +7.4900e+00 +7.2375e-14 +7.8142e+03 [...strychnine_spinach > create > summary_couplings ] +1.574368e+03 +5.102860e+02 +3.676077e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 3 2 +3.276253e+03 -2.708169e+03 -3.156512e+02 [...strychnine_spinach > create > summary_couplings ] -2.708169e+03 -7.068976e+03 -1.283423e+03 +1.9300e-13 +2.8950e-13 +7.8846e+03 [...strychnine_spinach > create > summary_couplings ] -3.156512e+02 -1.283423e+03 +3.792723e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 3 +1.080000e+00 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +1.080000e+00 +0.000000e+00 +1.0800e+00 +0.0000e+00 +0.0000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +0.000000e+00 +1.080000e+00 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 2 3 +3.283693e+03 -2.708169e+03 -3.156512e+02 [...strychnine_spinach > create > summary_couplings ] -2.708169e+03 -7.061536e+03 -1.283423e+03 +7.4400e+00 +2.8950e-13 +7.8846e+03 [...strychnine_spinach > create > summary_couplings ] -3.156512e+02 -1.283423e+03 +3.800163e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 4 3 -1.816327e+03 +5.428816e+03 +1.995941e+03 [...strychnine_spinach > create > summary_couplings ] +5.428816e+03 -1.338244e+03 -1.909990e+03 +0.0000e+00 +0.0000e+00 +7.7136e+03 [...strychnine_spinach > create > summary_couplings ] +1.995941e+03 -1.909990e+03 +3.154571e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 4 +2.300000e-01 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +2.300000e-01 +0.000000e+00 +2.3000e-01 +0.0000e+00 +0.0000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +0.000000e+00 +2.300000e-01 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 2 4 +9.800000e-01 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +9.800000e-01 +0.000000e+00 +9.8000e-01 +0.0000e+00 +0.0000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +0.000000e+00 +9.800000e-01 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 3 4 -1.808427e+03 +5.428816e+03 +1.995941e+03 [...strychnine_spinach > create > summary_couplings ] +5.428816e+03 -1.330344e+03 -1.909990e+03 +7.9000e+00 +0.0000e+00 +7.7136e+03 [...strychnine_spinach > create > summary_couplings ] +1.995941e+03 -1.909990e+03 +3.162471e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 6 5 +1.009825e+03 -2.020222e+02 +7.807626e+01 [...strychnine_spinach > create > summary_couplings ] -2.020222e+02 -1.637309e+03 +1.028972e+03 -4.8250e-14 +1.8651e-14 +2.0503e+03 [...strychnine_spinach > create > summary_couplings ] +7.807626e+01 +1.028972e+03 +6.274838e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 7 5 +3.138440e+03 +3.034273e+02 +4.897471e+00 [...strychnine_spinach > create > summary_couplings ] +3.034273e+02 -6.284184e+03 -1.522435e+02 +0.0000e+00 +0.0000e+00 +6.2964e+03 [...strychnine_spinach > create > summary_couplings ] +4.897471e+00 -1.522435e+02 +3.145744e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 5 +8.677975e+02 +7.107930e+02 -8.468962e+02 [...strychnine_spinach > create > summary_couplings ] +7.107930e+02 -1.446039e+02 +1.642838e+03 -4.8250e-14 +7.2375e-14 +2.4684e+03 [...strychnine_spinach > create > summary_couplings ] -8.468962e+02 +1.642838e+03 -7.231935e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 9 5 +2.013869e+03 -2.192087e+02 +1.094010e+03 [...strychnine_spinach > create > summary_couplings ] -2.192087e+02 +1.959362e+03 +1.238446e+03 +0.0000e+00 +1.4475e-13 +4.4150e+03 [...strychnine_spinach > create > summary_couplings ] +1.094010e+03 +1.238446e+03 -3.973231e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 10 5 +4.796030e+02 -8.751620e+01 -1.079566e+03 [...strychnine_spinach > create > summary_couplings ] -8.751620e+01 +9.502919e+02 -1.942288e+02 +0.0000e+00 +1.8094e-14 +1.9321e+03 [...strychnine_spinach > create > summary_couplings ] -1.079566e+03 -1.942288e+02 -1.429895e+03 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summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 11 18 -1.016689e+03 -1.304491e+03 +9.988713e+02 [...strychnine_spinach > create > summary_couplings ] -1.304491e+03 +3.448000e+02 +6.054425e+02 +4.8250e-14 +0.0000e+00 +2.2710e+03 [...strychnine_spinach > create > summary_couplings ] +9.988713e+02 +6.054425e+02 +6.718887e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 12 18 -2.974392e+03 -3.626539e+03 +7.116896e+03 [...strychnine_spinach > create > summary_couplings ] -3.626539e+03 +3.745192e+03 +3.108301e+03 -9.6500e-14 +0.0000e+00 +1.0658e+04 [...strychnine_spinach > create > summary_couplings ] +7.116896e+03 +3.108301e+03 -7.708003e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 13 18 -3.125840e+03 +9.192206e+01 -2.669651e+02 [...strychnine_spinach > create > summary_couplings ] +9.192206e+01 +1.569607e+03 +5.224335e+00 +0.0000e+00 +2.0230e-14 +3.1428e+03 [...strychnine_spinach > create > summary_couplings ] -2.669651e+02 +5.224335e+00 +1.556233e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 16 18 +4.477445e+02 +1.141591e+02 -1.292637e+03 [...strychnine_spinach > create > summary_couplings ] +1.141591e+02 +1.068722e+03 +2.301053e+02 +0.0000e+00 +7.5149e-14 +2.1781e+03 [...strychnine_spinach > create > summary_couplings ] -1.292637e+03 +2.301053e+02 -1.516466e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 17 18 +8.402912e+02 -5.013455e+02 -1.122695e+03 [...strychnine_spinach > create > summary_couplings ] -5.013455e+02 +7.172669e+02 -1.268862e+03 -9.6500e-14 +1.0235e-13 +2.5678e+03 [...strychnine_spinach > create > summary_couplings ] -1.122695e+03 -1.268862e+03 -1.557558e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 19 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summary_couplings ] +1.477329e+03 +1.013914e+04 -5.364969e+03 -1.4800e+01 +0.0000e+00 +2.2221e+04 [...strychnine_spinach > create > summary_couplings ] +8.286558e+03 -5.364969e+03 -1.899731e+04 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 19 +1.962657e+03 +5.079172e+03 +4.451855e+02 [...strychnine_spinach > create > summary_couplings ] +5.079172e+03 -6.265707e+03 -9.335150e+02 -1.9300e-13 +0.0000e+00 +8.7697e+03 [...strychnine_spinach > create > summary_couplings ] +4.451855e+02 -9.335150e+02 +4.303050e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 5 20 -1.711186e+03 -6.002495e+02 -3.491184e+02 [...strychnine_spinach > create > summary_couplings ] -6.002495e+02 +8.107358e+02 -7.885536e+01 +4.8250e-14 +7.2375e-14 +1.8926e+03 [...strychnine_spinach > create > summary_couplings ] -3.491184e+02 -7.885536e+01 +9.004501e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 10 20 -5.610753e+00 -2.718324e+02 +1.451305e+03 [...strychnine_spinach > create > summary_couplings ] -2.718324e+02 +9.725679e+02 +3.762113e+02 +4.7000e-01 +5.1177e-14 +2.0851e+03 [...strychnine_spinach > create > summary_couplings ] +1.451305e+03 +3.762113e+02 -9.655471e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 17 20 -2.272147e+03 +1.643689e+03 -1.905738e+03 [...strychnine_spinach > create > summary_couplings ] +1.643689e+03 +1.247653e+03 +7.515447e+02 +0.0000e+00 +1.6184e-13 +3.7917e+03 [...strychnine_spinach > create > summary_couplings ] -1.905738e+03 +7.515447e+02 +1.024495e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 18 20 +6.533741e+02 +1.413872e+03 +1.071166e+03 [...strychnine_spinach > create > summary_couplings ] +1.413872e+03 -8.206249e+02 -1.766317e+03 +1.7900e+00 +0.0000e+00 +3.0180e+03 [...strychnine_spinach > create > summary_couplings ] +1.071166e+03 -1.766317e+03 +1.726208e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 19 20 +1.962657e+03 +5.079172e+03 +4.451855e+02 [...strychnine_spinach > create > summary_couplings ] +5.079172e+03 -6.265707e+03 -9.335150e+02 -1.9300e-13 +0.0000e+00 +8.7697e+03 [...strychnine_spinach > create > summary_couplings ] +4.451855e+02 -9.335150e+02 +4.303050e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 21 20 +1.992328e+03 -1.037200e+03 +8.819889e+02 [...strychnine_spinach > create > summary_couplings ] -1.037200e+03 -1.521924e+03 +3.229257e+03 +2.4125e-14 +7.2375e-14 +4.5512e+03 [...strychnine_spinach > create > summary_couplings ] +8.819889e+02 +3.229257e+03 -4.704046e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 22 20 +4.386263e+03 +4.037248e+02 -4.449371e+01 [...strychnine_spinach > create > summary_couplings ] +4.037248e+02 -8.626833e+03 +1.435527e+03 -1.9300e-13 +0.0000e+00 +8.7976e+03 [...strychnine_spinach > create > summary_couplings ] -4.449371e+01 +1.435527e+03 +4.240570e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 21 -7.559045e+03 -5.232498e+03 +1.542962e+03 [...strychnine_spinach > create > summary_couplings ] -5.232498e+03 +2.781701e+03 +6.445200e+02 -1.9300e-13 +0.0000e+00 +9.9348e+03 [...strychnine_spinach > create > summary_couplings ] +1.542962e+03 +6.445200e+02 +4.777343e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 9 21 -1.885322e+03 +5.932973e+02 +3.948867e+02 [...strychnine_spinach > create > summary_couplings ] +5.932973e+02 +9.090314e+02 -8.036941e+01 +0.0000e+00 +3.6469e-14 +2.0596e+03 [...strychnine_spinach > create > summary_couplings ] +3.948867e+02 -8.036941e+01 +9.762901e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 10 21 -5.786456e+02 +3.989010e+03 +2.933474e+03 [...strychnine_spinach > create > summary_couplings ] +3.989010e+03 -6.327973e+02 -2.953453e+03 +4.8250e-14 +0.0000e+00 +6.7668e+03 [...strychnine_spinach > create > summary_couplings ] +2.933474e+03 -2.953453e+03 +1.211443e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 21 +1.999328e+03 -1.037200e+03 +8.819889e+02 [...strychnine_spinach > create > summary_couplings ] -1.037200e+03 -1.514924e+03 +3.229257e+03 +7.0000e+00 +7.2375e-14 +4.5512e+03 [...strychnine_spinach > create > summary_couplings ] +8.819889e+02 +3.229257e+03 -4.634046e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 22 21 +6.034869e+03 +1.086973e+03 +1.148097e+04 [...strychnine_spinach > create > summary_couplings ] +1.086973e+03 +1.058906e+04 -2.599721e+03 +0.0000e+00 +1.1693e-12 +2.1670e+04 [...strychnine_spinach > create > summary_couplings ] +1.148097e+04 -2.599721e+03 -1.662393e+04 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 22 -1.423976e+03 -7.548820e+02 +1.963526e+03 [...strychnine_spinach > create > summary_couplings ] -7.548820e+02 +1.278632e+03 +5.112615e+02 -1.2063e-14 +1.6184e-13 +2.9504e+03 [...strychnine_spinach > create > summary_couplings ] +1.963526e+03 +5.112615e+02 +1.453437e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 22 +4.392363e+03 +4.037248e+02 -4.449371e+01 [...strychnine_spinach > create > summary_couplings ] +4.037248e+02 -8.620733e+03 +1.435527e+03 +6.1000e+00 +0.0000e+00 +8.7976e+03 [...strychnine_spinach > create > summary_couplings ] -4.449371e+01 +1.435527e+03 +4.246670e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 21 22 +6.021069e+03 +1.086973e+03 +1.148097e+04 [...strychnine_spinach > create > summary_couplings ] +1.086973e+03 +1.057526e+04 -2.599721e+03 -1.3800e+01 +1.1693e-12 +2.1670e+04 [...strychnine_spinach > create > summary_couplings ] +1.148097e+04 -2.599721e+03 -1.663773e+04 [...strychnine_spinach > create > summary_couplings ] ====================================================================================================== [..._comparison > noesy_strychnine_spinach > create ] spin temperature: 298 Kelvin [..._comparison > noesy_strychnine_spinach > create ] relaxation theory 1: redfield [..._comparison > noesy_strychnine_spinach > create ] chemical subsystem 1, rotational correlation time(s): 2e-10 seconds [..._comparison > noesy_strychnine_spinach > create ] terms to keep in the relaxation superoperator: kite [..._comparison > noesy_strychnine_spinach > create ] action to take on dynamic frequency shifts: ignore [..._comparison > noesy_strychnine_spinach > create ] thermalisation method: IME create 20.8 s [...son > noesy_strychnine_spinach > basis > banner ] [...son > noesy_strychnine_spinach > basis > banner ] ============================================ [...son > noesy_strychnine_spinach > basis > banner ] = = [...son > noesy_strychnine_spinach > basis > banner ] = BASIS SET = [...son > noesy_strychnine_spinach > basis > banner ] = = [...son > noesy_strychnine_spinach > basis > banner ] ============================================ [...son > noesy_strychnine_spinach > basis > banner ] [...strychnine_spinach > basis > summary_basis_opts ] spherical tensor basis set using Liouville space matrix formalism. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations involving all nearest neighbours of each spin on the coupling graph. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations up to order 3 between all spins within 4 Angstrom of each other. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - coupling graph from scalar couplings, tensors with 2-norm below 1e-10 Hz dropped. [...n_comparison > noesy_strychnine_spinach > basis ] coupling tensors with norm below 1e-10 Hz will be ignored. [...n_comparison > noesy_strychnine_spinach > basis ] scalar couplings will be used to build the coupling graph. [...n_comparison > noesy_strychnine_spinach > basis ] connectivity matrix density 16.9421% [...n_comparison > noesy_strychnine_spinach > basis ] proximity matrix density 30.1653% [...n_comparison > noesy_strychnine_spinach > basis ] chemical substance 1, 22 spins: [...n_comparison > noesy_strychnine_spinach > basis ] 13 subgraphs generated from coupling data. [...n_comparison > noesy_strychnine_spinach > basis ] 226 subgraphs generated from proximity data. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 183 subgraphs with 3 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 6 subgraphs with 4 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 1 subgraphs with 5 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 1 subgraphs with 6 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] building basis set descriptor... [...n_comparison > noesy_strychnine_spinach > basis ] eliminating redundant states... [...n_comparison > noesy_strychnine_spinach > basis ] sorting the basis... [...n_comparison > noesy_strychnine_spinach > basis ] chemical substance 1: 12315 states. [...oesy_strychnine_spinach > basis > summary_basis ] over 256 states in the basis - printing suppressed. [...oesy_strychnine_spinach > basis > summary_basis ] state space dimension 12316 (7.0008e-08% of the full state space). [...n > noesy_strychnine_spinach > basis > symmetry ] no symmetry information available. [...n_comparison > noesy_strychnine_spinach > basis ] caching Lie structure tables... basis 2.0 s [...on > noesy_strychnine_spinach > liquid > banner ] [...on > noesy_strychnine_spinach > liquid > banner ] ============================================ [...on > noesy_strychnine_spinach > liquid > banner ] = = [...on > noesy_strychnine_spinach > liquid > banner ] = PULSE SEQUENCE = [...on > noesy_strychnine_spinach > liquid > banner ] = = [...on > noesy_strychnine_spinach > liquid > banner ] ============================================ [...on > noesy_strychnine_spinach > liquid > banner ] [... > noesy_strychnine_spinach > liquid > defaults ] parameters.decouple field not set, assuming no decoupling. [... > noesy_strychnine_spinach > liquid > defaults ] parameters.rframes field not set, assuming no additional rotating frame transformations. [...on > noesy_strychnine_spinach > liquid > assume ] generic high-field NMR assumption set: [...on > noesy_strychnine_spinach > liquid > assume ] rotating frame approximation for electrons, [...on > noesy_strychnine_spinach > liquid > assume ] rotating frame approximation for nuclei, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for electron Zeeman interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for nuclear Zeeman interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for giant spin model interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular coupling terms for spins belonging to the same species, [...on > noesy_strychnine_spinach > liquid > assume ] weak coupling terms for spins belonging to different species, [...on > noesy_strychnine_spinach > liquid > assume ] secular coupling terms for quadratic couplings. [...noesy_strychnine_spinach > liquid > hamiltonian ] building Hamiltonian descriptor... [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 1... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1800.4015 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 2... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1783.0682 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1822.5077 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -2032.768 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 5... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -969.6595 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 6... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -786.7807 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 7... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -670.723 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1077.1761 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -320.5403 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 10... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -791.3024 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 11... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -592.8488 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -367.2648 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -995.5338 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 14... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -474.7815 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 15... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -474.7815 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -808.6357 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -722.9741 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 18... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -933.4857 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 19... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -689.5636 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1485.8901 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 21... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1042.0071 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1021.4082 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,2... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 6,7... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 6,8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 7,8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 5,9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 8,9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 9,10... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,11... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 11,12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 11,13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 12,13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,15... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 15,16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 15,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 16,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,18... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 18,19... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 18,20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 20,21... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 20,22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 21,22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...noesy_strychnine_spinach > liquid > hamiltonian ] building individual operators... [...ne_spinach > liquid > hamiltonian > parfor/spmd ] 112/112 operators done, 73.4471 operators per second. [...noesy_strychnine_spinach > liquid > hamiltonian ] average worker process received 0.91732 MB and sent back 0.72738 MB [...noesy_strychnine_spinach > liquid > hamiltonian ] operator construction took 1.5376 seconds [...noesy_strychnine_spinach > liquid > hamiltonian ] operator array footprint: 0.0077637 GB [...noesy_strychnine_spinach > liquid > hamiltonian ] assembling the Hamiltonian... [...noesy_strychnine_spinach > liquid > hamiltonian ] Hamiltonian assembly took 0.033531 seconds [...noesy_strychnine_spinach > liquid > hamiltonian ] WARNING - only the isotropic part has been returned. [...noesy_strychnine_spinach > liquid > hamiltonian ] memory footprint of I array: 0.0012009 GB [... noesy_strychnine_spinach > liquid > relaxation ] Redfield theory (rotational diffusion). [... noesy_strychnine_spinach > liquid > relaxation ] computing the lab frame Hamiltonian superoperator... [...rychnine_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [...rychnine_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for all couplings. [...ine_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208923.6567 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208906.3234 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208945.7629 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251209156.0233 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208092.9147 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207910.0359 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207793.9782 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208200.4314 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207443.7955 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207914.5577 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207716.104 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207490.52 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208118.789 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207931.8909 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207846.2293 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208056.7409 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207812.8188 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208609.1453 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208165.2624 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208144.6634 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.64977e+03+3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.49308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.64977e+03-3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.15555e+02-1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.44803e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.15555e+02+1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.43591e+03+6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.90493e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.43591e+03-6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.53126e+03-3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.94855e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.53126e+03+3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.64977e+03+3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.49308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.64977e+03-3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,2... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.17261e+03+2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.64512e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.17261e+03-2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.17261e+03+2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.64512e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.17261e+03-2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,3... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39041e+02-5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.86354e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39041e+02+5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39041e+02-5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.86354e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39041e+02+5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32357e+03+2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.68508e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32357e+03-2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.71131e+03-3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.85273e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.71131e+03+3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.06201e+02-7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.85728e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.06201e+02+7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.72532e+01+2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.86619e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.72532e+01-2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.35344e+02+8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.75126e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.35344e+02-8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10164e+03-1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48915e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10164e+03+1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.46243e+03-4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.51217e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.46243e+03+4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38359e+03+5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.02231e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38359e+03-5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.93214e+03+5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.94240e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.93214e+03-5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.26096e+03+6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.10282e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.26096e+03-6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32357e+03+2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.68508e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32357e+03-2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.07321e+03+3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.36725e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.07321e+03-3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.30013e+02+4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.98870e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.30013e+02-4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.82467e+03-2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.65685e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.82467e+03+2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.71131e+03-3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.85273e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.71131e+03+3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.07321e+03+3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.36725e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.07321e+03-3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.87491e+02+3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.48418e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.87491e+02-3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.46680e+02-3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.41380e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.46680e+02+3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.06201e+02-7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.85728e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.06201e+02+7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.30013e+02+4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.98870e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.30013e+02-4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.87491e+02+3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.48418e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.87491e+02-3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.06738e+01-6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.45389e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.06738e+01+6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.61457e+03+1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.30308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.61457e+03-1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.17037e+03+5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.85103e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.17037e+03-5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.35130e+03+7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.78009e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.35130e+03-7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.72532e+01+2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.86619e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.72532e+01-2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.82467e+03-2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.65685e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.82467e+03+2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.46680e+02-3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.41380e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.46680e+02+3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.06738e+01-6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.45389e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.06738e+01+6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.19859e+03+4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.93148e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.19859e+03-4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.68667e+03-6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.71401e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.68667e+03+6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38844e+03+1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37265e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38844e+03-1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.39718e+03-5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.19571e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.39718e+03+5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.35344e+02+8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.75126e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.35344e+02-8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.61457e+03+1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.30308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.61457e+03-1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.19859e+03+4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.93148e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.19859e+03-4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.92287e+03-4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39423e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.92287e+03+4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.42904e+03-3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.74719e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.42904e+03+3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.81754e+03+9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14948e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.81754e+03-9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.89089e+02+2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.18312e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.89089e+02-2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.70759e+01-3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48371e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.70759e+01+3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.15555e+02-1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.44803e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.15555e+02+1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.68667e+03-6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.71401e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.68667e+03+6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.92287e+03-4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39423e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.92287e+03+4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.52333e+03+1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.35600e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.52333e+03-1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.24979e+03-1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.03198e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.24979e+03+1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.80744e+02+1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +8.22892e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.80744e+02-1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38844e+03+1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37265e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38844e+03-1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.42904e+03-3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.74719e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.42904e+03+3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.52333e+03+1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.35600e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.52333e+03-1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.37804e+03-2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.04519e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.37804e+03+2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.35979e+03+3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.44034e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.35979e+03-3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.27996e+02+2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.47525e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.27996e+02-2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.43591e+03+6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.90493e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.43591e+03-6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.24979e+03-1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.03198e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.24979e+03+1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.37804e+03-2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.04519e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.37804e+03+2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.28989e+02+1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.68662e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.28989e+02-1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.10871e+02+7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.80181e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.10871e+02-7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.95231e+02+1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.07633e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.95231e+02-1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.52116e+02-6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.45130e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.52116e+02+6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.34772e+03-9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.90599e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.34772e+03+9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.53126e+03-3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.94855e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.53126e+03+3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10164e+03-1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48915e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10164e+03+1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.28989e+02+1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.68662e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.28989e+02-1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10113e+04-6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.01852e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10113e+04+6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.51895e+03+2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.25006e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.51895e+03-2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.07120e+03-2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.49987e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.07120e+03+2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.46243e+03-4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.51217e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.46243e+03+4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.10871e+02+7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.80181e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.10871e+02-7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10113e+04-6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.01852e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10113e+04+6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32488e+02+4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.54881e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32488e+02-4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.82175e+03+1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39193e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.82175e+03-1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38359e+03+5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.02231e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38359e+03-5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.95231e+02+1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.07633e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.95231e+02-1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.51895e+03+2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.25006e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.51895e+03-2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32488e+02+4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.54881e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32488e+02-4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.35117e+04-8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.20639e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.35117e+04+8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.10488e+02-1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.85728e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.10488e+02+1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.14075e+03-1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.26533e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.14075e+03+1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.93214e+03+5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.94240e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.93214e+03-5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.52116e+02-6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.45130e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.52116e+02+6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.07120e+03-2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.49987e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.07120e+03+2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.82175e+03+1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39193e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.82175e+03-1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.35117e+04-8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.20639e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.35117e+04+8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.15122e+01+5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.90761e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.15122e+01-5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.65872e+03+3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.58123e+01 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.65872e+03-3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.75990e+03-1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25474e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.75990e+03+1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.81754e+03+9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14948e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.81754e+03-9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.80744e+02+1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +8.22892e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.80744e+02-1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.35979e+03+3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.44034e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.35979e+03-3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.34772e+03-9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.90599e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.34772e+03+9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.10488e+02-1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.85728e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.10488e+02+1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.15122e+01+5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.90761e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.15122e+01-5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.62684e+02-1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.32487e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.62684e+02+1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +7.36999e+02-1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.09224e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +7.36999e+02+1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.27996e+02+2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.47525e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.27996e+02-2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.14075e+03-1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.26533e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.14075e+03+1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.65872e+03+3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.58123e+01 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.65872e+03-3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.62684e+02-1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.32487e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.62684e+02+1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.11418e+03-5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.27014e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.11418e+03+5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.26096e+03+6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.10282e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.26096e+03-6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.89089e+02+2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.18312e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.89089e+02-2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.75990e+03-1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25474e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.75990e+03+1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +7.36999e+02-1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.09224e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +7.36999e+02+1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.11418e+03-5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.27014e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.11418e+03+5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.75713e+03+1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.76126e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.75713e+03-1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.50655e+03-4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.19362e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.50655e+03+4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.17037e+03+5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.85103e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.17037e+03-5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.39718e+03-5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.19571e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.39718e+03+5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.70759e+01-3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48371e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.70759e+01+3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.75713e+03+1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.76126e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.75713e+03-1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.27710e+03-1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.03601e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.27710e+03+1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.35130e+03+7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.78009e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.35130e+03-7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.50655e+03-4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.19362e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.50655e+03+4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.27710e+03-1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.03601e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.27710e+03+1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] 1147 unique operators in the Hamiltonian descriptor. [...ine_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 1147/1147 operators done, 258.3424 operators per second. [...ine_spinach > liquid > relaxation > hamiltonian ] average worker process received 0.96771 MB and sent back 6.6082 MB [...ine_spinach > liquid > relaxation > hamiltonian ] operator construction took 4.4451 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.070749 GB [...ine_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...ine_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.71297 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] maximum spherical rank in the giant spin Hamiltonian: 0 [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0012009 GB [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of Q array: 0.035203 GB [... noesy_strychnine_spinach > liquid > relaxation ] parallel evaluation path... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+2, p=+2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+1, p=+2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+0, p=+2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-1, p=+2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-2, p=+2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+2, p=+1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-2, p=+1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+2, p=+0, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+1, p=+0, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+0, p=+0, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-1, p=+0, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-2, p=+0, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+2, p=-1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-2, p=-1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+2, p=-2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+1, p=-2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+0, p=-2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-1, p=-2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-2, p=-2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] getting data from workers... [... noesy_strychnine_spinach > liquid > relaxation ] Redfield superoperator build time: 7.9651 seconds [... noesy_strychnine_spinach > liquid > relaxation ] full relaxation superoperator density 0.58599%, nnz 888859, sparsity 1 [... noesy_strychnine_spinach > liquid > relaxation ] dynamic frequency shifts have been ignored. [... noesy_strychnine_spinach > liquid > relaxation ] transverse cross-relaxation terms have been ignored. [... noesy_strychnine_spinach > liquid > relaxation ] thermalisation method: inhomogeneous master equation [... noesy_strychnine_spinach > liquid > relaxation ] getting lab frame Hamiltonian... [...rychnine_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [...rychnine_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for all couplings. [...ine_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208923.6567 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208906.3234 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208945.7629 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251209156.0233 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208092.9147 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207910.0359 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207793.9782 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208200.4314 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207443.7955 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207914.5577 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207716.104 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207490.52 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208118.789 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207931.8909 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207846.2293 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208056.7409 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207812.8188 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208609.1453 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208165.2624 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208144.6634 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...ine_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 112/112 operators done, 104.1658 operators per second. [...ine_spinach > liquid > relaxation > hamiltonian ] average worker process received 0.91732 MB and sent back 0.46281 MB [...ine_spinach > liquid > relaxation > hamiltonian ] operator construction took 1.0793 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.0049216 GB [...ine_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...ine_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.0095139 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0025916 GB [... noesy_strychnine_spinach > liquid > relaxation ] getting the equilibrium state using isotropic Hamiltonian... [... noesy_strychnine_spinach > liquid > relaxation ] final relaxation superoperator density 0.012566%, nnz(R)=19061, sparsity 1 [... noesy_strychnine_spinach > liquid > relaxation ] memory footprint of the relaxation superoperator: 0.00051782 GB [... > noesy_strychnine_spinach > liquid > kinetics ] no significant kinetics specified. [... > noesy_strychnine_spinach > liquid > kinetics ] kinetics superoperator set to zero. [..._comparison > noesy_strychnine_spinach > liquid ] building the thermal equilibrium state... [...ychnine_spinach > liquid > equilibrium > assume ] lab frame assumption set - no assumptions: [...ychnine_spinach > liquid > equilibrium > assume ] laboratory frame simulation for electrons, [...ychnine_spinach > liquid > equilibrium > assume ] laboratory frame simulation for nuclei, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for electron Zeeman interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for nuclear Zeeman interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for giant spin model interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for all couplings. [...ne_spinach > liquid > equilibrium > hamiltonian ] building Hamiltonian descriptor... [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208923.6567 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208906.3234 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208945.7629 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251209156.0233 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208092.9147 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207910.0359 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207793.9782 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208200.4314 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207443.7955 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207914.5577 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207716.104 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207490.52 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208118.789 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207598.0367 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207598.0367 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207931.8909 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207846.2293 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208056.7409 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207812.8188 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208609.1453 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208165.2624 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208144.6634 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,2... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 2,3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 2,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 3,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 6,7... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 6,8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 7,8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 5,9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 8,9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 9,10... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,11... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 11,12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 11,13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 12,13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,15... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 15,16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 15,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 16,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,18... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 18,19... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 18,20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 20,21... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 20,22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 21,22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...ne_spinach > liquid > equilibrium > hamiltonian ] building individual operators... [...iquid > equilibrium > hamiltonian > parfor/spmd ] 112/112 operators done, 283.6297 operators per second. [...ne_spinach > liquid > equilibrium > hamiltonian ] average worker process received 0.91732 MB and sent back 0.46281 MB [...ne_spinach > liquid > equilibrium > hamiltonian ] operator construction took 0.39793 seconds [...ne_spinach > liquid > equilibrium > hamiltonian ] operator array footprint: 0.0049216 GB [...ne_spinach > liquid > equilibrium > hamiltonian ] assembling the Hamiltonian... [...ne_spinach > liquid > equilibrium > hamiltonian ] Hamiltonian assembly took 0.0051208 seconds [...ne_spinach > liquid > equilibrium > hamiltonian ] WARNING - only the isotropic part has been returned. [...ne_spinach > liquid > equilibrium > hamiltonian ] memory footprint of I array: 0.0025916 GB [...> noesy_strychnine_spinach > liquid > frqoffset ] applying 1200 Hz Larmor frequency offset to 1H... [..._comparison > noesy_strychnine_spinach > liquid ] running the pulse sequence... [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. liquid/noesy 81.5 s [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, sqcos window function applied. processing 0.2 s [...comparison > noesy_strychnine_spinach > plot_2d ] plotting... plot 3.2 s total 107.7 s == noesy_strychnine (Spinach /Users/alexej/Documents/PROG/spynach-spinach) -> /Users/alexej/Documents/PROG/spynach/comparison/runs/noesy_strychnine/spinach Running startup checks... [..._comparison > noesy_strychnine_spinach > create ] scratch location: /Users/alexej/Documents/PROG/spynach-spinach/scratch [...on > noesy_strychnine_spinach > create > banner ] [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = SPINACH v2.13 = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = author list = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = documentation = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = book = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = MIT License = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] [... noesy_strychnine_spinach > create > tolerances ] Drop interaction tensors with 2-norms below (Hz) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop Liouvillian elements with norm below (rad/s) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop relaxation superoperator elements with norm below (Hz) 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop propagator elements with norm below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop subspaces with populations below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop irreps with populations below 1.00000000e-10 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Steady state convergence tolerance 1.00000000e-08 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of time steps in ZTE sample 32 (safe default) [... noesy_strychnine_spinach > create > tolerances ] ZTE track drop threshold 1.00000000e-24 (safe default) [... noesy_strychnine_spinach > create > tolerances ] ZTE off for state vector densities above 0.5 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Drop dipolar couplings over more than (Angstrom) 4 (user-specified) [... noesy_strychnine_spinach > create > tolerances ] Krylov propagation for dimensions above 10000 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Basis set printing hush threshold 256 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Collect small subspaces into bundles of dimension 1000 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Force sparse algebra for matrix density below 0.15 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Force full algebra for matrix dimension below 200 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Rel. acc. for the elements of Redfield superoperator 1.00000000e-04 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Matrix exponential differentiation algorithm auxmat (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of PBC images for DD couplings in PBC systems 2 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Number of days before a cache record is deleted 365 (safe default) [... noesy_strychnine_spinach > create > tolerances ] Planck constant (hbar) 1.05457182e-34 [... noesy_strychnine_spinach > create > tolerances ] Boltzmann constant (k) 1.38064900e-23 [... noesy_strychnine_spinach > create > tolerances ] Free electron g-factor 2.00231930e+00 [... noesy_strychnine_spinach > create > tolerances ] Vacuum permeability 1.25663706e-06 [... noesy_strychnine_spinach > create > tolerances ] Bohr magneton 9.27401007e-24 [..._comparison > noesy_strychnine_spinach > create ] WARNING: the following functionality is disabled by the user [..._comparison > noesy_strychnine_spinach > create ] > Krylov propagation inside evolution() function [..._comparison > noesy_strychnine_spinach > create ] WARNING: the following functionality is enabled by the user [..._comparison > noesy_strychnine_spinach > create ] > greedy parallelisation [..._comparison > noesy_strychnine_spinach > create ] job identifier: 4eeb6af943e221a556f14be256709c6d [..._comparison > noesy_strychnine_spinach > create ] random number generator shuffled [..._comparison > noesy_strychnine_spinach > create ] starting a parallel pool with the following parameters: [..._comparison > noesy_strychnine_spinach > create ] > parallel profile: processes [..._comparison > noesy_strychnine_spinach > create ] > workers requested: 11 [..._comparison > noesy_strychnine_spinach > create ] > worker port range: 20001-44999 Starting parallel pool (parpool) using the 'Processes' profile ... Connected to parallel pool with 11 workers. [...on > noesy_strychnine_spinach > create > banner ] [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] = SPIN SYSTEM = [...on > noesy_strychnine_spinach > create > banner ] = = [...on > noesy_strychnine_spinach > create > banner ] ============================================ [...on > noesy_strychnine_spinach > create > banner ] [..._comparison > noesy_strychnine_spinach > create ] a total of 22 particles in the simulation, of which 0 have a zero spin. [..._comparison > noesy_strychnine_spinach > create ] magnetic induction of 5.9 Tesla (-251.21 MHz proton frequency, 165.35 GHz electron frequency). [...sy_strychnine_spinach > create > summary_zeeman ] summary of Zeeman tensors and their anisotropies (ppm for nuclei, g-tensor for electrons) [...sy_strychnine_spinach > create > summary_zeeman ] ======================================================================================================= [...sy_strychnine_spinach > create > summary_zeeman ] # Spin 2S+1 Matrix Tr/3 norm[rank1] norm[rank2] [...sy_strychnine_spinach > create > summary_zeeman ] ------------------------------------------------------------------------------------------------------- [...sy_strychnine_spinach > create > summary_zeeman ] 1 1H 2 +7.167000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.167000e+00 +0.000000e+00 +7.1670e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.167000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 2 1H 2 +7.098000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.098000e+00 +0.000000e+00 +7.0980e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.098000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 3 1H 2 +7.255000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +7.255000e+00 +0.000000e+00 +7.2550e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +7.255000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 4 1H 2 +8.092000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +8.092000e+00 +0.000000e+00 +8.0920e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +8.092000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 5 1H 2 +3.860000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.860000e+00 +0.000000e+00 +3.8600e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.860000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 6 1H 2 +3.132000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.132000e+00 +0.000000e+00 +3.1320e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.132000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 7 1H 2 +2.670000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.670000e+00 +0.000000e+00 +2.6700e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.670000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 8 1H 2 +4.288000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.288000e+00 +0.000000e+00 +4.2880e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.288000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 9 1H 2 +1.276000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.276000e+00 +0.000000e+00 +1.2760e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.276000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 10 1H 2 +3.150000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.150000e+00 +0.000000e+00 +3.1500e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.150000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 11 1H 2 +2.360000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.360000e+00 +0.000000e+00 +2.3600e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.360000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 12 1H 2 +1.462000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.462000e+00 +0.000000e+00 +1.4620e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.462000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 13 1H 2 +3.963000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.963000e+00 +0.000000e+00 +3.9630e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.963000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 14 1H 2 +1.890000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.890000e+00 +0.000000e+00 +1.8900e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.890000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 15 1H 2 +1.890000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +1.890000e+00 +0.000000e+00 +1.8900e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +1.890000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 16 1H 2 +3.219000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.219000e+00 +0.000000e+00 +3.2190e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.219000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 17 1H 2 +2.878000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.878000e+00 +0.000000e+00 +2.8780e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.878000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 18 1H 2 +3.716000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +3.716000e+00 +0.000000e+00 +3.7160e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +3.716000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 19 1H 2 +2.745000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +2.745000e+00 +0.000000e+00 +2.7450e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +2.745000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 20 1H 2 +5.915000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +5.915000e+00 +0.000000e+00 +5.9150e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +5.915000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 21 1H 2 +4.148000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.148000e+00 +0.000000e+00 +4.1480e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.148000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] [...sy_strychnine_spinach > create > summary_zeeman ] 22 1H 2 +4.066000e+00 +0.000000e+00 +0.000000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +4.066000e+00 +0.000000e+00 +4.0660e+00 +0.0000e+00 +0.0000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] +0.000000e+00 +0.000000e+00 +4.066000e+00 [...sy_strychnine_spinach > create > summary_zeeman ] ======================================================================================================= [..._comparison > noesy_strychnine_spinach > create ] WARNING - no giant spin terms supplied, zeros assumed. [..._comparison > noesy_strychnine_spinach > create ] initializing interaction arrays... [...rychnine_spinach > create > summary_coordinates ] atomic coordinates (Angstrom) [...rychnine_spinach > create > summary_coordinates ] ====================================== [...rychnine_spinach > create > summary_coordinates ] N Spin X Y Z [...rychnine_spinach > create > summary_coordinates ] -------------------------------------- [...rychnine_spinach > create > summary_coordinates ] 1 1H +2.734 -2.896 -0.426 [...rychnine_spinach > create > summary_coordinates ] 2 1H +5.075 -2.137 -0.780 [...rychnine_spinach > create > summary_coordinates ] 3 1H +5.663 +0.255 -0.501 [...rychnine_spinach > create > summary_coordinates ] 4 1H +3.914 +1.928 +0.114 [...rychnine_spinach > create > summary_coordinates ] 5 1H -0.600 +0.479 +1.319 [...rychnine_spinach > create > summary_coordinates ] 6 1H -0.326 +4.093 -0.078 [...rychnine_spinach > create > summary_coordinates ] 7 1H -0.686 +3.149 +1.362 [...rychnine_spinach > create > summary_coordinates ] 8 1H -1.749 +2.707 -1.336 [...rychnine_spinach > create > summary_coordinates ] 9 1H -0.086 +1.061 -1.587 [...rychnine_spinach > create > summary_coordinates ] 10 1H -2.223 +0.187 -2.284 [...rychnine_spinach > create > summary_coordinates ] 11 1H +0.010 -1.034 -2.430 [...rychnine_spinach > create > summary_coordinates ] 12 1H -1.358 -2.137 -2.430 [...rychnine_spinach > create > summary_coordinates ] 13 1H +0.389 -2.909 -0.854 [...rychnine_spinach > create > summary_coordinates ] 14 1H +1.032 -2.708 +1.774 [...rychnine_spinach > create > summary_coordinates ] 15 1H +0.606 -1.192 +2.580 [...rychnine_spinach > create > summary_coordinates ] 16 1H -1.287 -3.143 +2.354 [...rychnine_spinach > create > summary_coordinates ] 17 1H -1.751 -1.461 +2.050 [...rychnine_spinach > create > summary_coordinates ] 18 1H -2.974 -2.843 -1.045 [...rychnine_spinach > create > summary_coordinates ] 19 1H -3.433 -2.546 +0.623 [...rychnine_spinach > create > summary_coordinates ] 20 1H -4.460 -0.393 +0.811 [...rychnine_spinach > create > summary_coordinates ] 21 1H -3.853 +1.828 -1.077 [...rychnine_spinach > create > summary_coordinates ] 22 1H -4.533 +1.982 +0.550 [...rychnine_spinach > create > summary_coordinates ] ====================================== [..._comparison > noesy_strychnine_spinach > create ] periodic boundary conditions not specified, assuming a standalone spin system. [...n > noesy_strychnine_spinach > create > dipolar ] dipolar interaction distance threshold: 4 Angstrom. [...n > noesy_strychnine_spinach > create > dipolar ] running dipolar interaction network analysis... [...n > noesy_strychnine_spinach > create > dipolar ] found 62 spin pair(s) with distance under the threshold of 4 Angstrom. [..._comparison > noesy_strychnine_spinach > create ] processing coupling data... [...strychnine_spinach > create > summary_couplings ] summary of coupling tensors and their anisotropies (Hz) [...strychnine_spinach > create > summary_couplings ] ====================================================================================================== [...strychnine_spinach > create > summary_couplings ] Spin A Spin B Matrix Tr/3 norm[rank1] norm[rank2] [...strychnine_spinach > create > summary_couplings ] ------------------------------------------------------------------------------------------------------ [...strychnine_spinach > create > summary_couplings ] 2 1 -6.484066e+03 -3.368003e+03 +1.574368e+03 [...strychnine_spinach > create > summary_couplings ] -3.368003e+03 +2.815479e+03 +5.102860e+02 +0.0000e+00 +7.2375e-14 +7.8142e+03 [...strychnine_spinach > create > summary_couplings ] +1.574368e+03 +5.102860e+02 +3.668587e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 11 1 -5.154957e+02 +1.066053e+03 -1.147599e+03 [...strychnine_spinach > create > summary_couplings ] +1.066053e+03 +3.156147e+02 +7.843635e+02 +1.2063e-14 +0.0000e+00 +2.0885e+03 [...strychnine_spinach > create > summary_couplings ] -1.147599e+03 +7.843635e+02 +1.998809e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 13 1 -8.438339e+03 -6.971296e+01 -2.349931e+03 [...strychnine_spinach > create > summary_couplings ] -6.971296e+01 +4.433481e+03 -1.272670e+01 +0.0000e+00 +0.0000e+00 +8.8677e+03 [...strychnine_spinach > create > summary_couplings ] -2.349931e+03 -1.272670e+01 +4.004858e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 14 1 -3.275195e+02 +3.421269e+02 +4.007511e+03 [...strychnine_spinach > create > summary_couplings ] +3.421269e+02 +2.735000e+03 -4.422439e+02 +0.0000e+00 +3.6188e-14 +5.5455e+03 [...strychnine_spinach > create > summary_couplings ] +4.007511e+03 -4.422439e+02 -2.407480e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 2 -6.476576e+03 -3.368003e+03 +1.574368e+03 [...strychnine_spinach > create > summary_couplings ] -3.368003e+03 +2.822969e+03 +5.102860e+02 +7.4900e+00 +7.2375e-14 +7.8142e+03 [...strychnine_spinach > create > summary_couplings ] +1.574368e+03 +5.102860e+02 +3.676077e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 3 2 +3.276253e+03 -2.708169e+03 -3.156512e+02 [...strychnine_spinach > create > summary_couplings ] -2.708169e+03 -7.068976e+03 -1.283423e+03 +1.9300e-13 +2.8950e-13 +7.8846e+03 [...strychnine_spinach > create > summary_couplings ] -3.156512e+02 -1.283423e+03 +3.792723e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 3 +1.080000e+00 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +1.080000e+00 +0.000000e+00 +1.0800e+00 +0.0000e+00 +0.0000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +0.000000e+00 +1.080000e+00 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 2 3 +3.283693e+03 -2.708169e+03 -3.156512e+02 [...strychnine_spinach > create > summary_couplings ] -2.708169e+03 -7.061536e+03 -1.283423e+03 +7.4400e+00 +2.8950e-13 +7.8846e+03 [...strychnine_spinach > create > summary_couplings ] -3.156512e+02 -1.283423e+03 +3.800163e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 4 3 -1.816327e+03 +5.428816e+03 +1.995941e+03 [...strychnine_spinach > create > summary_couplings ] +5.428816e+03 -1.338244e+03 -1.909990e+03 +0.0000e+00 +0.0000e+00 +7.7136e+03 [...strychnine_spinach > create > summary_couplings ] +1.995941e+03 -1.909990e+03 +3.154571e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 1 4 +2.300000e-01 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +2.300000e-01 +0.000000e+00 +2.3000e-01 +0.0000e+00 +0.0000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +0.000000e+00 +2.300000e-01 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 2 4 +9.800000e-01 +0.000000e+00 +0.000000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +9.800000e-01 +0.000000e+00 +9.8000e-01 +0.0000e+00 +0.0000e+00 [...strychnine_spinach > create > summary_couplings ] +0.000000e+00 +0.000000e+00 +9.800000e-01 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 3 4 -1.808427e+03 +5.428816e+03 +1.995941e+03 [...strychnine_spinach > create > summary_couplings ] +5.428816e+03 -1.330344e+03 -1.909990e+03 +7.9000e+00 +0.0000e+00 +7.7136e+03 [...strychnine_spinach > create > summary_couplings ] +1.995941e+03 -1.909990e+03 +3.162471e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 6 5 +1.009825e+03 -2.020222e+02 +7.807626e+01 [...strychnine_spinach > create > summary_couplings ] -2.020222e+02 -1.637309e+03 +1.028972e+03 -4.8250e-14 +1.8651e-14 +2.0503e+03 [...strychnine_spinach > create > summary_couplings ] +7.807626e+01 +1.028972e+03 +6.274838e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 7 5 +3.138440e+03 +3.034273e+02 +4.897471e+00 [...strychnine_spinach > create > summary_couplings ] +3.034273e+02 -6.284184e+03 -1.522435e+02 +0.0000e+00 +0.0000e+00 +6.2964e+03 [...strychnine_spinach > create > summary_couplings ] +4.897471e+00 -1.522435e+02 +3.145744e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 5 +8.677975e+02 +7.107930e+02 -8.468962e+02 [...strychnine_spinach > create > summary_couplings ] +7.107930e+02 -1.446039e+02 +1.642838e+03 -4.8250e-14 +7.2375e-14 +2.4684e+03 [...strychnine_spinach > create > summary_couplings ] -8.468962e+02 +1.642838e+03 -7.231935e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 9 5 +2.013869e+03 -2.192087e+02 +1.094010e+03 [...strychnine_spinach > create > summary_couplings ] -2.192087e+02 +1.959362e+03 +1.238446e+03 +0.0000e+00 +1.4475e-13 +4.4150e+03 [...strychnine_spinach > create > summary_couplings ] +1.094010e+03 +1.238446e+03 -3.973231e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 10 5 +4.796030e+02 -8.751620e+01 -1.079566e+03 [...strychnine_spinach > create > summary_couplings ] -8.751620e+01 +9.502919e+02 -1.942288e+02 +0.0000e+00 +1.8094e-14 +1.9321e+03 [...strychnine_spinach > create > summary_couplings ] -1.079566e+03 -1.942288e+02 -1.429895e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 14 5 +4.937000e+02 +1.529432e+03 -2.186754e+02 [...strychnine_spinach > create > summary_couplings ] +1.529432e+03 -1.709586e+03 +4.270079e+02 +0.0000e+00 +0.0000e+00 +2.5539e+03 [...strychnine_spinach > create > summary_couplings ] -2.186754e+02 +4.270079e+02 +1.215886e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 15 5 +1.074101e+03 +4.409405e+03 -3.328560e+03 [...strychnine_spinach > create > summary_couplings ] +4.409405e+03 -1.850766e+03 +4.610813e+03 -4.8250e-14 +2.8950e-13 +8.5145e+03 [...strychnine_spinach > create > summary_couplings ] -3.328560e+03 +4.610813e+03 +7.766655e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 16 5 +9.662303e+02 -5.444323e+02 +1.557045e+02 [...strychnine_spinach > create > summary_couplings ] -5.444323e+02 -1.800942e+03 +8.209278e+02 +0.0000e+00 +7.2375e-14 +2.1390e+03 [...strychnine_spinach > create > summary_couplings ] +1.557045e+02 +8.209278e+02 +8.347115e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 17 5 +1.322666e+03 -5.365969e+03 +2.023406e+03 [...strychnine_spinach > create > summary_couplings ] -5.365969e+03 -4.541622e+03 +3.411443e+03 +0.0000e+00 +1.4475e-13 +9.0107e+03 [...strychnine_spinach > create > summary_couplings ] +2.023406e+03 +3.411443e+03 +3.218956e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 5 -1.711186e+03 -6.002495e+02 -3.491184e+02 [...strychnine_spinach > create > summary_couplings ] -6.002495e+02 +8.107358e+02 -7.885536e+01 +4.8250e-14 +7.2375e-14 +1.8926e+03 [...strychnine_spinach > create > summary_couplings ] -3.491184e+02 -7.885536e+01 +9.004501e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 5 6 +1.009825e+03 -2.020222e+02 +7.807626e+01 [...strychnine_spinach > create > summary_couplings ] -2.020222e+02 -1.637309e+03 +1.028972e+03 -4.8250e-14 +1.8651e-14 +2.0503e+03 [...strychnine_spinach > create > summary_couplings ] +7.807626e+01 +1.028972e+03 +6.274838e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 7 6 +9.655000e+03 -3.639845e+03 +5.554680e+03 [...strychnine_spinach > create > summary_couplings ] -3.639845e+03 +1.508577e+03 +1.455230e+04 +0.0000e+00 +2.8950e-13 +2.2089e+04 [...strychnine_spinach > create > summary_couplings ] +5.554680e+03 +1.455230e+04 -1.116358e+04 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 6 -4.561505e+02 -4.946875e+03 -4.490312e+03 [...strychnine_spinach > create > summary_couplings ] -4.946875e+03 -1.961239e+02 -4.373848e+03 +0.0000e+00 +2.8950e-13 +9.2449e+03 [...strychnine_spinach > create > summary_couplings ] -4.490312e+03 -4.373848e+03 +6.522744e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 9 6 +1.512076e+03 +2.908579e+02 +1.447813e+02 [...strychnine_spinach > create > summary_couplings ] +2.908579e+02 -2.137256e+03 -1.828007e+03 -2.4125e-14 +3.7301e-14 +3.0702e+03 [...strychnine_spinach > create > summary_couplings ] +1.447813e+02 -1.828007e+03 +6.251794e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 5 7 +3.138440e+03 +3.034273e+02 +4.897471e+00 [...strychnine_spinach > create > summary_couplings ] +3.034273e+02 -6.284184e+03 -1.522435e+02 +0.0000e+00 +0.0000e+00 +6.2964e+03 [...strychnine_spinach > create > summary_couplings ] +4.897471e+00 -1.522435e+02 +3.145744e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 6 7 +9.637660e+03 -3.639845e+03 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summary_couplings ] +1.477329e+03 +1.013914e+04 -5.364969e+03 -1.4800e+01 +0.0000e+00 +2.2221e+04 [...strychnine_spinach > create > summary_couplings ] +8.286558e+03 -5.364969e+03 -1.899731e+04 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 19 +1.962657e+03 +5.079172e+03 +4.451855e+02 [...strychnine_spinach > create > summary_couplings ] +5.079172e+03 -6.265707e+03 -9.335150e+02 -1.9300e-13 +0.0000e+00 +8.7697e+03 [...strychnine_spinach > create > summary_couplings ] +4.451855e+02 -9.335150e+02 +4.303050e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 5 20 -1.711186e+03 -6.002495e+02 -3.491184e+02 [...strychnine_spinach > create > summary_couplings ] -6.002495e+02 +8.107358e+02 -7.885536e+01 +4.8250e-14 +7.2375e-14 +1.8926e+03 [...strychnine_spinach > create > summary_couplings ] -3.491184e+02 -7.885536e+01 +9.004501e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 10 20 -5.610753e+00 -2.718324e+02 +1.451305e+03 [...strychnine_spinach > create > summary_couplings ] -2.718324e+02 +9.725679e+02 +3.762113e+02 +4.7000e-01 +5.1177e-14 +2.0851e+03 [...strychnine_spinach > create > summary_couplings ] +1.451305e+03 +3.762113e+02 -9.655471e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 17 20 -2.272147e+03 +1.643689e+03 -1.905738e+03 [...strychnine_spinach > create > summary_couplings ] +1.643689e+03 +1.247653e+03 +7.515447e+02 +0.0000e+00 +1.6184e-13 +3.7917e+03 [...strychnine_spinach > create > summary_couplings ] -1.905738e+03 +7.515447e+02 +1.024495e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 18 20 +6.533741e+02 +1.413872e+03 +1.071166e+03 [...strychnine_spinach > create > summary_couplings ] +1.413872e+03 -8.206249e+02 -1.766317e+03 +1.7900e+00 +0.0000e+00 +3.0180e+03 [...strychnine_spinach > create > summary_couplings ] +1.071166e+03 -1.766317e+03 +1.726208e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 19 20 +1.962657e+03 +5.079172e+03 +4.451855e+02 [...strychnine_spinach > create > summary_couplings ] +5.079172e+03 -6.265707e+03 -9.335150e+02 -1.9300e-13 +0.0000e+00 +8.7697e+03 [...strychnine_spinach > create > summary_couplings ] +4.451855e+02 -9.335150e+02 +4.303050e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 21 20 +1.992328e+03 -1.037200e+03 +8.819889e+02 [...strychnine_spinach > create > summary_couplings ] -1.037200e+03 -1.521924e+03 +3.229257e+03 +2.4125e-14 +7.2375e-14 +4.5512e+03 [...strychnine_spinach > create > summary_couplings ] +8.819889e+02 +3.229257e+03 -4.704046e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 22 20 +4.386263e+03 +4.037248e+02 -4.449371e+01 [...strychnine_spinach > create > summary_couplings ] +4.037248e+02 -8.626833e+03 +1.435527e+03 -1.9300e-13 +0.0000e+00 +8.7976e+03 [...strychnine_spinach > create > summary_couplings ] -4.449371e+01 +1.435527e+03 +4.240570e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 21 -7.559045e+03 -5.232498e+03 +1.542962e+03 [...strychnine_spinach > create > summary_couplings ] -5.232498e+03 +2.781701e+03 +6.445200e+02 -1.9300e-13 +0.0000e+00 +9.9348e+03 [...strychnine_spinach > create > summary_couplings ] +1.542962e+03 +6.445200e+02 +4.777343e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 9 21 -1.885322e+03 +5.932973e+02 +3.948867e+02 [...strychnine_spinach > create > summary_couplings ] +5.932973e+02 +9.090314e+02 -8.036941e+01 +0.0000e+00 +3.6469e-14 +2.0596e+03 [...strychnine_spinach > create > summary_couplings ] +3.948867e+02 -8.036941e+01 +9.762901e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 10 21 -5.786456e+02 +3.989010e+03 +2.933474e+03 [...strychnine_spinach > create > summary_couplings ] +3.989010e+03 -6.327973e+02 -2.953453e+03 +4.8250e-14 +0.0000e+00 +6.7668e+03 [...strychnine_spinach > create > summary_couplings ] +2.933474e+03 -2.953453e+03 +1.211443e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 21 +1.999328e+03 -1.037200e+03 +8.819889e+02 [...strychnine_spinach > create > summary_couplings ] -1.037200e+03 -1.514924e+03 +3.229257e+03 +7.0000e+00 +7.2375e-14 +4.5512e+03 [...strychnine_spinach > create > summary_couplings ] +8.819889e+02 +3.229257e+03 -4.634046e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 22 21 +6.034869e+03 +1.086973e+03 +1.148097e+04 [...strychnine_spinach > create > summary_couplings ] +1.086973e+03 +1.058906e+04 -2.599721e+03 +0.0000e+00 +1.1693e-12 +2.1670e+04 [...strychnine_spinach > create > summary_couplings ] +1.148097e+04 -2.599721e+03 -1.662393e+04 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 8 22 -1.423976e+03 -7.548820e+02 +1.963526e+03 [...strychnine_spinach > create > summary_couplings ] -7.548820e+02 +1.278632e+03 +5.112615e+02 -1.2063e-14 +1.6184e-13 +2.9504e+03 [...strychnine_spinach > create > summary_couplings ] +1.963526e+03 +5.112615e+02 +1.453437e+02 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 20 22 +4.392363e+03 +4.037248e+02 -4.449371e+01 [...strychnine_spinach > create > summary_couplings ] +4.037248e+02 -8.620733e+03 +1.435527e+03 +6.1000e+00 +0.0000e+00 +8.7976e+03 [...strychnine_spinach > create > summary_couplings ] -4.449371e+01 +1.435527e+03 +4.246670e+03 [...strychnine_spinach > create > summary_couplings ] [...strychnine_spinach > create > summary_couplings ] 21 22 +6.021069e+03 +1.086973e+03 +1.148097e+04 [...strychnine_spinach > create > summary_couplings ] +1.086973e+03 +1.057526e+04 -2.599721e+03 -1.3800e+01 +1.1693e-12 +2.1670e+04 [...strychnine_spinach > create > summary_couplings ] +1.148097e+04 -2.599721e+03 -1.663773e+04 [...strychnine_spinach > create > summary_couplings ] ====================================================================================================== [..._comparison > noesy_strychnine_spinach > create ] spin temperature: 298 Kelvin [..._comparison > noesy_strychnine_spinach > create ] relaxation theory 1: redfield [..._comparison > noesy_strychnine_spinach > create ] chemical subsystem 1, rotational correlation time(s): 2e-10 seconds [..._comparison > noesy_strychnine_spinach > create ] terms to keep in the relaxation superoperator: kite [..._comparison > noesy_strychnine_spinach > create ] action to take on dynamic frequency shifts: ignore [..._comparison > noesy_strychnine_spinach > create ] thermalisation method: IME create 20.3 s [...son > noesy_strychnine_spinach > basis > banner ] [...son > noesy_strychnine_spinach > basis > banner ] ============================================ [...son > noesy_strychnine_spinach > basis > banner ] = = [...son > noesy_strychnine_spinach > basis > banner ] = BASIS SET = [...son > noesy_strychnine_spinach > basis > banner ] = = [...son > noesy_strychnine_spinach > basis > banner ] ============================================ [...son > noesy_strychnine_spinach > basis > banner ] [...strychnine_spinach > basis > summary_basis_opts ] spherical tensor basis set using Liouville space matrix formalism. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations involving all nearest neighbours of each spin on the coupling graph. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - spin correlations up to order 3 between all spins within 4 Angstrom of each other. [...strychnine_spinach > basis > summary_basis_opts ] IK-2 approximation - coupling graph from scalar couplings, tensors with 2-norm below 1e-10 Hz dropped. [...n_comparison > noesy_strychnine_spinach > basis ] coupling tensors with norm below 1e-10 Hz will be ignored. [...n_comparison > noesy_strychnine_spinach > basis ] scalar couplings will be used to build the coupling graph. [...n_comparison > noesy_strychnine_spinach > basis ] connectivity matrix density 16.9421% [...n_comparison > noesy_strychnine_spinach > basis ] proximity matrix density 30.1653% [...n_comparison > noesy_strychnine_spinach > basis ] chemical substance 1, 22 spins: [...n_comparison > noesy_strychnine_spinach > basis ] 13 subgraphs generated from coupling data. [...n_comparison > noesy_strychnine_spinach > basis ] 226 subgraphs generated from proximity data. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 183 subgraphs with 3 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 6 subgraphs with 4 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 1 subgraphs with 5 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] keeping 1 subgraphs with 6 spins each. [...n_comparison > noesy_strychnine_spinach > basis ] building basis set descriptor... [...n_comparison > noesy_strychnine_spinach > basis ] eliminating redundant states... [...n_comparison > noesy_strychnine_spinach > basis ] sorting the basis... [...n_comparison > noesy_strychnine_spinach > basis ] chemical substance 1: 12315 states. [...oesy_strychnine_spinach > basis > summary_basis ] over 256 states in the basis - printing suppressed. [...oesy_strychnine_spinach > basis > summary_basis ] state space dimension 12316 (7.0008e-08% of the full state space). [...n > noesy_strychnine_spinach > basis > symmetry ] no symmetry information available. [...n_comparison > noesy_strychnine_spinach > basis ] caching Lie structure tables... basis 2.3 s [...on > noesy_strychnine_spinach > liquid > banner ] [...on > noesy_strychnine_spinach > liquid > banner ] ============================================ [...on > noesy_strychnine_spinach > liquid > banner ] = = [...on > noesy_strychnine_spinach > liquid > banner ] = PULSE SEQUENCE = [...on > noesy_strychnine_spinach > liquid > banner ] = = [...on > noesy_strychnine_spinach > liquid > banner ] ============================================ [...on > noesy_strychnine_spinach > liquid > banner ] [... > noesy_strychnine_spinach > liquid > defaults ] parameters.decouple field not set, assuming no decoupling. [... > noesy_strychnine_spinach > liquid > defaults ] parameters.rframes field not set, assuming no additional rotating frame transformations. [...on > noesy_strychnine_spinach > liquid > assume ] generic high-field NMR assumption set: [...on > noesy_strychnine_spinach > liquid > assume ] rotating frame approximation for electrons, [...on > noesy_strychnine_spinach > liquid > assume ] rotating frame approximation for nuclei, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for electron Zeeman interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for nuclear Zeeman interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular terms for giant spin model interactions, [...on > noesy_strychnine_spinach > liquid > assume ] secular coupling terms for spins belonging to the same species, [...on > noesy_strychnine_spinach > liquid > assume ] weak coupling terms for spins belonging to different species, [...on > noesy_strychnine_spinach > liquid > assume ] secular coupling terms for quadratic couplings. [...noesy_strychnine_spinach > liquid > hamiltonian ] building Hamiltonian descriptor... [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 1... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1800.4015 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 2... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1783.0682 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1822.5077 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -2032.768 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 5... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -969.6595 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 6... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -786.7807 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 7... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -670.723 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1077.1761 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -320.5403 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 10... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -791.3024 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 11... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -592.8488 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -367.2648 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -995.5338 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 14... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -474.7815 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 15... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -474.7815 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -808.6357 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -722.9741 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 18... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -933.4857 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 19... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -689.5636 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1485.8901 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 21... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1042.0071 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] offset isotropic Zeeman interaction for spin 22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (Lz) x -1021.4082 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,2... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,3... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 1,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 2,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 3,4... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 6,7... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 6,8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 7,8... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 5,9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 8,9... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 9,10... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,11... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 11,12... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 11,13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 12,13... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,15... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 15,16... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 14,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 15,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 16,17... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,18... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 18,19... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 10,20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 18,20... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 20,21... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 20,22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] complete isotropic coupling for spins 21,22... [...noesy_strychnine_spinach > liquid > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...noesy_strychnine_spinach > liquid > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...noesy_strychnine_spinach > liquid > hamiltonian ] building individual operators... [...ne_spinach > liquid > hamiltonian > parfor/spmd ] 112/112 operators done, 68.1291 operators per second. [...noesy_strychnine_spinach > liquid > hamiltonian ] average worker process received 0.91732 MB and sent back 0.72738 MB [...noesy_strychnine_spinach > liquid > hamiltonian ] operator construction took 1.6566 seconds [...noesy_strychnine_spinach > liquid > hamiltonian ] operator array footprint: 0.0077637 GB [...noesy_strychnine_spinach > liquid > hamiltonian ] assembling the Hamiltonian... [...noesy_strychnine_spinach > liquid > hamiltonian ] Hamiltonian assembly took 0.050542 seconds [...noesy_strychnine_spinach > liquid > hamiltonian ] WARNING - only the isotropic part has been returned. [...noesy_strychnine_spinach > liquid > hamiltonian ] memory footprint of I array: 0.0012009 GB [... noesy_strychnine_spinach > liquid > relaxation ] Redfield theory (rotational diffusion). [... noesy_strychnine_spinach > liquid > relaxation ] computing the lab frame Hamiltonian superoperator... [...rychnine_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [...rychnine_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for all couplings. [...ine_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208923.6567 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208906.3234 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208945.7629 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251209156.0233 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208092.9147 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207910.0359 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207793.9782 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208200.4314 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207443.7955 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207914.5577 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207716.104 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207490.52 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208118.789 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207931.8909 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207846.2293 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208056.7409 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207812.8188 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208609.1453 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208165.2624 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208144.6634 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.64977e+03+3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.49308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.64977e+03-3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.15555e+02-1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.44803e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.15555e+02+1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.43591e+03+6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.90493e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.43591e+03-6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,1... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.53126e+03-3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.94855e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.53126e+03+3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.64977e+03+3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.49308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.57437e+03+5.10286e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.64977e+03-3.36800e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,2... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.17261e+03+2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.64512e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.17261e+03-2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.17261e+03+2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.64512e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.15651e+02-1.28342e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.17261e+03-2.70817e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 4,3... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39041e+02-5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.86354e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39041e+02+5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.39041e+02-5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.86354e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.99594e+03-1.90999e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.39041e+02+5.42882e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32357e+03+2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.68508e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32357e+03-2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.71131e+03-3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.85273e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.71131e+03+3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.06201e+02-7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.85728e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.06201e+02+7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.72532e+01+2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.86619e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.72532e+01-2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.35344e+02+8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.75126e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.35344e+02-8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10164e+03-1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48915e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10164e+03+1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.46243e+03-4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.51217e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.46243e+03+4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38359e+03+5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.02231e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38359e+03-5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.93214e+03+5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.94240e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.93214e+03-5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,5... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.26096e+03+6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.10282e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.26096e+03-6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32357e+03+2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.68508e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.80763e+01+1.02897e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32357e+03-2.02022e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.07321e+03+3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.36725e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.07321e+03-3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.30013e+02+4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.98870e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.30013e+02-4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,6... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.82467e+03-2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.65685e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.82467e+03+2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.71131e+03-3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.85273e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.89747e+00-1.52243e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.71131e+03+3.03427e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.07321e+03+3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.36725e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.55468e+03+1.45523e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.07321e+03-3.63985e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.87491e+02+3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.48418e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.87491e+02-3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,7... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.46680e+02-3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.41380e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.46680e+02+3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.06201e+02-7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.85728e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -8.46896e+02+1.64284e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.06201e+02+7.10793e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.30013e+02+4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.98870e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.49031e+03-4.37385e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.30013e+02-4.94687e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.87491e+02+3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.48418e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.37997e+03-9.90869e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.87491e+02-3.90309e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.06738e+01-6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.45389e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.06738e+01+6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.61457e+03+1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.30308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.61457e+03-1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.17037e+03+5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.85103e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.17037e+03-5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,8... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.35130e+03+7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.78009e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.35130e+03-7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.72532e+01+2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.86619e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.09401e+03+1.23845e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.72532e+01-2.19209e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 6,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.82467e+03-2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +7.65685e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.44781e+02-1.82801e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.82467e+03+2.90858e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 7,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +5.46680e+02-3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.41380e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.83769e+02-1.68304e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +5.46680e+02+3.42578e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -7.06738e+01-6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.45389e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.04315e+03-1.03243e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -7.06738e+01+6.83679e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.19859e+03+4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.93148e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.19859e+03-4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.68667e+03-6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.71401e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.68667e+03+6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38844e+03+1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37265e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38844e+03-1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,9... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.39718e+03-5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.19571e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.39718e+03+5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.35344e+02+8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.75126e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.07957e+03-1.94229e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.35344e+02-8.75162e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.61457e+03+1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.30308e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.30657e+02-2.81813e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.61457e+03-1.41130e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.19859e+03+4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.93148e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.28577e+03-1.34395e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.19859e+03-4.12467e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.92287e+03-4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39423e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.92287e+03+4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.42904e+03-3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.74719e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.42904e+03+3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.81754e+03+9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14948e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.81754e+03-9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.89089e+02+2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.18312e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.89089e+02-2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,10... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.70759e+01-3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48371e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.70759e+01+3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.15555e+02-1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.44803e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.14760e+03+7.84364e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.15555e+02+1.06605e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.68667e+03-6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.71401e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.46818e+02-5.38783e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.68667e+03+6.13925e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.92287e+03-4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39423e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.45618e+02-2.98401e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.92287e+03+4.56138e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.52333e+03+1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.35600e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.52333e+03-1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.24979e+03-1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.03198e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.24979e+03+1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,11... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.80744e+02+1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +8.22892e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.80744e+02-1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38844e+03+1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.37265e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.45562e+02-8.68973e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38844e+03-1.31171e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.42904e+03-3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.74719e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.40864e+02-6.46887e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.42904e+03+3.82911e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.52333e+03+1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.35600e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.47166e+00-1.18645e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.52333e+03-1.62295e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.37804e+03-2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.04519e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.37804e+03+2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.35979e+03+3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.44034e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.35979e+03-3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,12... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.27996e+02+2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.47525e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.27996e+02-2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.43591e+03+6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.90493e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.34993e+03-1.27267e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.43591e+03-6.97130e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.24979e+03-1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.03198e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.15115e+03+5.69739e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.24979e+03+1.36912e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.37804e+03-2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.04519e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.33183e+03+2.35515e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.37804e+03+2.61009e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.28989e+02+1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.68662e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.28989e+02-1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.10871e+02+7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.80181e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.10871e+02-7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.95231e+02+1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.07633e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.95231e+02-1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.52116e+02-6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.45130e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.52116e+02+6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,13... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.34772e+03-9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.90599e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.34772e+03+9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 1,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.53126e+03-3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.94855e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.00751e+03-4.42244e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.53126e+03+3.42127e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10164e+03-1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48915e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.18675e+02+4.27008e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10164e+03+1.52943e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.28989e+02+1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -6.68662e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.07254e+03-6.46057e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.28989e+02-1.58128e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10113e+04-6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.01852e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10113e+04+6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.51895e+03+2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.25006e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.51895e+03-2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,14... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.07120e+03-2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.49987e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.07120e+03+2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.46243e+03-4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +9.51217e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.32856e+03+4.61081e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.46243e+03+4.40941e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +3.10871e+02+7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.80181e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.59972e+02-1.26380e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +3.10871e+02-7.99815e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.10113e+04-6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.01852e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.56889e+03-1.27052e+04i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.10113e+04+6.71609e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32488e+02+4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.54881e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32488e+02-4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,15... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.82175e+03+1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39193e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.82175e+03-1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.38359e+03+5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.02231e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.55705e+02+8.20928e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.38359e+03-5.44432e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.95231e+02+1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.07633e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54324e+03+2.15833e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.95231e+02-1.12757e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.51895e+03+2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.25006e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.86202e+03+5.36691e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.51895e+03-2.14528e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.32488e+02+4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.54881e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -5.09115e+02-5.24658e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.32488e+02-4.40503e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.35117e+04-8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.20639e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.35117e+04+8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.10488e+02-1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.85728e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.10488e+02+1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,16... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.14075e+03-1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.26533e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.14075e+03+1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.93214e+03+5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +3.94240e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.02341e+03+3.41144e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.93214e+03-5.36597e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.52116e+02-6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -8.45130e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.26228e+03-8.54143e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.52116e+02+6.29378e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.07120e+03-2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.49987e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +5.13763e+02-2.30278e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.07120e+03+2.32348e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.82175e+03+1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +4.39193e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.65232e+03-3.02605e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.82175e+03-1.34593e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.35117e+04-8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.20639e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.45840e+03+5.29190e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.35117e+04+8.05954e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.15122e+01+5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.90761e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.15122e+01-5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.65872e+03+3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.58123e+01 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.65872e+03-3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,17... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.75990e+03-1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25474e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.75990e+03+1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.81754e+03+9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.14948e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.92110e+02+1.58323e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.81754e+03-9.59114e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 11,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.80744e+02+1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +8.22892e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +9.98871e+02+6.05443e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.80744e+02-1.30449e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.35979e+03+3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -9.44034e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +7.11690e+03+3.10830e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.35979e+03-3.62654e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 13,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.34772e+03-9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.90599e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -2.66965e+02+5.22434e+00i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.34772e+03+9.19221e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -3.10488e+02-1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.85728e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.29264e+03+2.30105e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -3.10488e+02+1.14159e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.15122e+01+5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.90761e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.12269e+03-1.26886e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.15122e+01-5.01345e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.62684e+02-1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.32487e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.62684e+02+1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,18... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +7.36999e+02-1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.09224e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +7.36999e+02+1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 12,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.27996e+02+2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.47525e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.61606e+03+3.18071e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.27996e+02-2.16215e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 16,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.14075e+03-1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -4.26533e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.74586e+03+1.04313e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.14075e+03+1.29253e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.65872e+03+3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.58123e+01 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.81902e+03-3.10772e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.65872e+03-3.66255e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -6.62684e+02-1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.32487e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.28656e+03-5.36497e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -6.62684e+02+1.47733e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,19... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.11418e+03-5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.27014e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.11418e+03+5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 5,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.26096e+03+6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.10282e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -3.49118e+02-7.88554e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.26096e+03-6.00249e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -4.89089e+02+2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -1.18312e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.45130e+03+3.76211e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -4.89089e+02-2.71832e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 17,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.75990e+03-1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.25474e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -1.90574e+03+7.51545e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.75990e+03+1.64369e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +7.36999e+02-1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +2.09224e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.07117e+03-1.76632e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +7.36999e+02+1.41387e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 19,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +4.11418e+03-5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.27014e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +4.45185e+02-9.33515e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +4.11418e+03+5.07917e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.75713e+03+1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.76126e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.75713e+03-1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,20... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.50655e+03-4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.19362e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.50655e+03+4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -5.17037e+03+5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.85103e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.54296e+03+6.44520e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -5.17037e+03-5.23250e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 9,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.39718e+03-5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.19571e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +3.94887e+02-8.03694e+01i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.39718e+03+5.93297e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 10,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +2.70759e+01-3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.48371e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +2.93347e+03-2.95345e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +2.70759e+01+3.98901e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +1.75713e+03+1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -5.76126e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +8.81989e+02+3.22926e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +1.75713e+03-1.03720e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 22,21... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.27710e+03-1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.03601e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.27710e+03+1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 8,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -1.35130e+03+7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +1.78009e+02 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.96353e+03+5.11261e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -1.35130e+03-7.54882e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x +6.50655e+03-4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x +4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x +5.19362e+03 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x -4.44937e+01+1.43553e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x +6.50655e+03+4.03725e+02i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete anisotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+2]: 0.5*(LpSp) x -2.27710e+03-1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,+1]: -0.5*(LzSp+LpSz) x -1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2, 0]: sqrt(2/3)*(LzSz-0.25*(LpSm+LmSp)) x -2.03601e+04 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-1]: 0.5*(LzSm+LmSz) x +1.14810e+04-2.59972e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] T[2,-2]: 0.5*(LmSm) x -2.27710e+03+1.08697e+03i Hz [...ine_spinach > liquid > relaxation > hamiltonian ] 1147 unique operators in the Hamiltonian descriptor. [...ine_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 1005/1147 operators done, 200.7673 operators per second. [...liquid > relaxation > hamiltonian > parfor/spmd ] 1147/1147 operators done, 211.9969 operators per second. [...ine_spinach > liquid > relaxation > hamiltonian ] average worker process received 0.96771 MB and sent back 6.6082 MB [...ine_spinach > liquid > relaxation > hamiltonian ] operator construction took 5.4166 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.070749 GB [...ine_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...ine_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.7308 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] maximum spherical rank in the giant spin Hamiltonian: 0 [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0012009 GB [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of Q array: 0.035203 GB [... noesy_strychnine_spinach > liquid > relaxation ] parallel evaluation path... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+2, p=+2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+1, p=+2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=+0, p=+2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-1, p=+2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+2, m=-2, p=+2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+2, p=+1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+1, p=+1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=+0, p=+1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-1, p=+1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+1, m=-2, p=+1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+2, p=+0, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+1, p=+0, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=+0, p=+0, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-1, p=+0, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=+0, m=-2, p=+0, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+2, p=-1, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+1, p=-1, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=+0, p=-1, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-1, p=-1, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-1, m=-2, p=-1, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+2, p=-2, q=+2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+1, p=-2, q=+1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=+0, p=-2, q=+0, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-1, p=-2, q=-1, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] queuing up L=2, k=-2, m=-2, p=-2, q=-2, chemical species 1... [...> liquid > relaxation > redfield_integral_async ] getting data from workers... [... noesy_strychnine_spinach > liquid > relaxation ] Redfield superoperator build time: 9.1896 seconds [... noesy_strychnine_spinach > liquid > relaxation ] full relaxation superoperator density 0.58599%, nnz 888859, sparsity 1 [... noesy_strychnine_spinach > liquid > relaxation ] dynamic frequency shifts have been ignored. [... noesy_strychnine_spinach > liquid > relaxation ] transverse cross-relaxation terms have been ignored. [... noesy_strychnine_spinach > liquid > relaxation ] thermalisation method: inhomogeneous master equation [... noesy_strychnine_spinach > liquid > relaxation ] getting lab frame Hamiltonian... [...rychnine_spinach > liquid > relaxation > assume ] lab frame assumption set - no assumptions: [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for electrons, [...rychnine_spinach > liquid > relaxation > assume ] laboratory frame simulation for nuclei, [...rychnine_spinach > liquid > relaxation > assume ] all terms for electron Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for nuclear Zeeman interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for giant spin model interactions, [...rychnine_spinach > liquid > relaxation > assume ] all terms for all couplings. [...ine_spinach > liquid > relaxation > hamiltonian ] building Hamiltonian descriptor... [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208923.6567 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208906.3234 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208945.7629 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251209156.0233 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208092.9147 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207910.0359 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207793.9782 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208200.4314 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207443.7955 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207914.5577 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207716.104 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207490.52 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208118.789 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207598.0367 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207931.8909 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207846.2293 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208056.7409 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251207812.8188 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208609.1453 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208165.2624 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ine_spinach > liquid > relaxation > hamiltonian ] (Lz) x -251208144.6634 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,2... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,3... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 1,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 2,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 3,4... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,7... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 6,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 7,8... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 5,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 8,9... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 9,10... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,11... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,12... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 11,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 12,13... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,15... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,16... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 14,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 15,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 16,17... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,18... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,19... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 10,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 18,20... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,21... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 20,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] complete isotropic coupling for spins 21,22... [...ine_spinach > liquid > relaxation > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ine_spinach > liquid > relaxation > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...ine_spinach > liquid > relaxation > hamiltonian ] building individual operators... [...liquid > relaxation > hamiltonian > parfor/spmd ] 112/112 operators done, 86.2954 operators per second. [...ine_spinach > liquid > relaxation > hamiltonian ] average worker process received 0.91732 MB and sent back 0.46281 MB [...ine_spinach > liquid > relaxation > hamiltonian ] operator construction took 1.3039 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] operator array footprint: 0.0049216 GB [...ine_spinach > liquid > relaxation > hamiltonian ] assembling the Hamiltonian... [...ine_spinach > liquid > relaxation > hamiltonian ] Hamiltonian assembly took 0.01117 seconds [...ine_spinach > liquid > relaxation > hamiltonian ] WARNING - only the isotropic part has been returned. [...ine_spinach > liquid > relaxation > hamiltonian ] memory footprint of I array: 0.0025916 GB [... noesy_strychnine_spinach > liquid > relaxation ] getting the equilibrium state using isotropic Hamiltonian... [... noesy_strychnine_spinach > liquid > relaxation ] final relaxation superoperator density 0.012566%, nnz(R)=19061, sparsity 1 [... noesy_strychnine_spinach > liquid > relaxation ] memory footprint of the relaxation superoperator: 0.00051782 GB [... > noesy_strychnine_spinach > liquid > kinetics ] no significant kinetics specified. [... > noesy_strychnine_spinach > liquid > kinetics ] kinetics superoperator set to zero. [..._comparison > noesy_strychnine_spinach > liquid ] building the thermal equilibrium state... [...ychnine_spinach > liquid > equilibrium > assume ] lab frame assumption set - no assumptions: [...ychnine_spinach > liquid > equilibrium > assume ] laboratory frame simulation for electrons, [...ychnine_spinach > liquid > equilibrium > assume ] laboratory frame simulation for nuclei, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for electron Zeeman interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for nuclear Zeeman interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for giant spin model interactions, [...ychnine_spinach > liquid > equilibrium > assume ] all terms for all couplings. [...ne_spinach > liquid > equilibrium > hamiltonian ] building Hamiltonian descriptor... [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 1... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208923.6567 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 2... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208906.3234 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208945.7629 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251209156.0233 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 5... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208092.9147 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 6... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207910.0359 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 7... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207793.9782 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208200.4314 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207443.7955 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 10... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207914.5577 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 11... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207716.104 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207490.52 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208118.789 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 14... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207598.0367 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 15... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207598.0367 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207931.8909 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207846.2293 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 18... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208056.7409 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 19... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251207812.8188 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208609.1453 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 21... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208165.2624 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic Zeeman interaction for spin 22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (Lz) x -251208144.6634 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,2... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.49 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.08 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 2,3... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.44 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 1,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.23 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 2,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.98 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 3,4... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 6,7... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -17.34 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 6,8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.34 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 7,8... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 8.47 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 5,9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 10.41 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 8,9... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.3 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 9,10... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.29 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,11... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 4.11 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.96 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 11,12... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -14.35 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 11,13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 4.33 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 12,13... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 2.42 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,15... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 5.5 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 15,16... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 3.2 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 14,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7.2 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 15,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 10.7 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 16,17... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.9 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,18... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.61 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 18,19... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -14.8 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 10,20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 0.47 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 18,20... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 1.79 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 20,21... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 7 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 20,22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x 6.1 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] complete isotropic coupling for spins 21,22... [...ne_spinach > liquid > equilibrium > hamiltonian ] (LxSx+LySy+LzSz) x -13.8 Hz [...ne_spinach > liquid > equilibrium > hamiltonian ] 112 unique operators in the Hamiltonian descriptor. [...ne_spinach > liquid > equilibrium > hamiltonian ] building individual operators... [...iquid > equilibrium > hamiltonian > parfor/spmd ] 112/112 operators done, 229.1398 operators per second. [...ne_spinach > liquid > equilibrium > hamiltonian ] average worker process received 0.91732 MB and sent back 0.46281 MB [...ne_spinach > liquid > equilibrium > hamiltonian ] operator construction took 0.49205 seconds [...ne_spinach > liquid > equilibrium > hamiltonian ] operator array footprint: 0.0049216 GB [...ne_spinach > liquid > equilibrium > hamiltonian ] assembling the Hamiltonian... [...ne_spinach > liquid > equilibrium > hamiltonian ] Hamiltonian assembly took 0.0057795 seconds [...ne_spinach > liquid > equilibrium > hamiltonian ] WARNING - only the isotropic part has been returned. [...ne_spinach > liquid > equilibrium > hamiltonian ] memory footprint of I array: 0.0025916 GB [...> noesy_strychnine_spinach > liquid > frqoffset ] applying 1200 Hz Larmor frequency offset to 1H... [..._comparison > noesy_strychnine_spinach > liquid ] running the pulse sequence... [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. [ ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] WARNING - too few zeros in the state vector, basis left unchanged. [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 12316-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3071 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 104 populated subspaces of dimension 1 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 13 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 18 [...iquid > noesy > evolution > reduce > path_trace ] 8 populated subspaces of dimension 28 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 40 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 4 populated subspaces of dimension 60 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 847 [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 1453 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 2310 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 137 independent subspaces of total dimension 7986 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 2310 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 3, dim 1453 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 4, dim 847 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 5, dim 963 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 6, dim 960 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 5 of 6... [ ] building the propagator... [propagator ] generator dimension 963, nnz 7969, density 0.85931%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 963, nnz 67897, density 7.3215%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 6 of 6... [ ] building the propagator... [propagator ] generator dimension 960, nnz 4784, density 0.5191%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 12 iterations. [propagator ] propagator dimension 960, nnz 21684, density 2.3529%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 960, nnz 28052, density 3.0438%, sparsity 1 [ ] propagating the system on CPU... [ ] evolving subspace 1 of 6... [ ] building the propagator... [propagator ] generator dimension 2310, nnz 24387, density 0.45702%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 4 of 6... [ ] building the propagator... [propagator ] generator dimension 847, nnz 7197, density 1.0032%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 2 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [ ] evolving subspace 3 of 6... [ ] building the propagator... [propagator ] generator dimension 1453, nnz 12867, density 0.60946%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 14 iterations. [propagator ] propagator dimension 847, nnz 63809, density 8.8944%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1453, nnz 128191, density 6.0719%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 963, nnz 152845, density 16.4816%, sparsity 0 [ ] propagating the system on CPU... [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 2... [propagator ] propagator dimension 2310, nnz 205749, density 3.8558%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] propagator dimension 847, nnz 147677, density 20.5848%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] CPU squaring step 2... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1453, nnz 323980, density 15.3457%, sparsity 0 [ ] propagating the system on CPU... [propagator ] propagator dimension 2310, nnz 523543, density 9.8113%, sparsity 1 [ ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening is not applicable. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 2.46 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 0.076876 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 446 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 446 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] small state space - path tracing skipped. [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [...strychnine_spinach > liquid > noesy > evolution ] evolving subspace 1 of 1... [...strychnine_spinach > liquid > noesy > evolution ] dim(L)=446, rho stack size 512, 1 substeps in optimal stepping. [...strychnine_spinach > liquid > noesy > evolution ] building the propagator... [...inach > liquid > noesy > evolution > propagator ] generator dimension 446, nnz 7191, density 3.6151%, sparsity 1 [...inach > liquid > noesy > evolution > propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [...inach > liquid > noesy > evolution > propagator ] Taylor series converged on CPU in 13 iterations. [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 78427, density 39.4272%, sparsity 0 [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 1... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 2... [...inach > liquid > noesy > evolution > propagator ] CPU squaring step 3... [...inach > liquid > noesy > evolution > propagator ] propagator dimension 446, nnz 98973, density 49.7562%, sparsity 0 [...strychnine_spinach > liquid > noesy > evolution ] propagating the system on CPU... [...strychnine_spinach > liquid > noesy > evolution ] propagation finished. [...strychnine_spinach > liquid > noesy > evolution ] recombining subspaces... [...strychnine_spinach > liquid > noesy > evolution ] data retrieval finished. [...strychnine_spinach > liquid > noesy > evolution ] trying to reduce the problem dimension... [...strychnine_spinach > liquid > noesy > evolution ] destination state screening using coil state. [...e_spinach > liquid > noesy > evolution > reduce ] no permutation symmetry information has been supplied. [...e_spinach > liquid > noesy > evolution > reduce ] attempting zero track elimination... [...ach > liquid > noesy > evolution > reduce > zte ] dropping states with amplitudes below 1e-24 within the first 0.0015515 seconds. [...ach > liquid > noesy > evolution > reduce > zte ] a maximum of 32 steps shall be taken, 4.8483e-05 seconds each. [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 0, active space dimension 22 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 1, active space dimension 1498 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 2, active space dimension 1523 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 3, active space dimension 1529 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 4, active space dimension 1531 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 5, active space dimension 1537 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 6, active space dimension 1541 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 7, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] evolution step 8, active space dimension 1549 [...ach > liquid > noesy > evolution > reduce > zte ] state space dimension reduced from 12316 to 1549 [...e_spinach > liquid > noesy > evolution > reduce ] path-tracing subspace #1... [...iquid > noesy > evolution > reduce > path_trace ] analyzing 1549-dimensional state space. [...iquid > noesy > evolution > reduce > path_trace ] Liouvillian zero tolerance 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] population tolerance for subspace drop 1e-10 [...iquid > noesy > evolution > reduce > path_trace ] found 3 non-interacting subspaces. [...iquid > noesy > evolution > reduce > path_trace ] running subspace population analysis... [...iquid > noesy > evolution > reduce > path_trace ] 2 populated subspaces of dimension 56 [...iquid > noesy > evolution > reduce > path_trace ] 1 populated subspaces of dimension 1437 [...iquid > noesy > evolution > reduce > path_trace ] keeping a total of 3 independent subspaces of total dimension 1549 [...iquid > noesy > evolution > reduce > path_trace ] merging small subspaces into batches of dimension 1000... [...iquid > noesy > evolution > reduce > path_trace ] working subspace 1, dim 1437 [...iquid > noesy > evolution > reduce > path_trace ] working subspace 2, dim 112 [...strychnine_spinach > liquid > noesy > evolution ] splitting the space... [ ] evolving subspace 1 of 2... [ ] building the propagator... [propagator ] generator dimension 1437, nnz 12803, density 0.62001%, sparsity 1 [propagator ] scaling -i*L*dt down by 8 and squaring the propagator 3 times. [propagator ] Taylor series converged on CPU in 13 iterations. [propagator ] propagator dimension 1437, nnz 127839, density 6.1908%, sparsity 1 [propagator ] CPU squaring step 1... [propagator ] CPU squaring step 2... [ ] evolving subspace 2 of 2... [ ] building the propagator... [ ] propagating the system on CPU... [ ] propagation finished. [propagator ] CPU squaring step 3... [propagator ] propagator dimension 1437, nnz 323396, density 15.6611%, sparsity 0 [ ] propagating the system on CPU... [ ] propagation finished. liquid/noesy 88.7 s [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, all first points divided by 2 [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 1, sqcos window function applied. [...arison > noesy_strychnine_spinach > apodisation ] FID dimension 2, sqcos window function applied. processing 0.1 s [...comparison > noesy_strychnine_spinach > plot_2d ] plotting... plot 1.9 s total 113.2 s